{ "meta": { "disclaimer": "Do not rely on openFDA to make decisions regarding medical care. While we make every effort to ensure that data is accurate, you should assume all results are unvalidated. We may limit or otherwise restrict your access to the API in line with our Terms of Service.", "terms": "https://open.fda.gov/terms/", "license": "https://open.fda.gov/license/", "last_updated": "2025-09-19", "results": { "skip": 0, "limit": 1, "total": 1 } }, "results": [ { "codes": [ { "uuid": "a42ee232-ac5c-4670-8318-2c859257b14c", "code": "68541-50-4", "type": "PRIMARY", "url": "https://commonchemistry.cas.org/detail?cas_rn=68541-50-4", "code_system": "CAS", "references": [ "64d2a69b-c385-4613-8e53-4e1efbb8bf1a", "7f77e849-e5db-4c61-b669-43e82d8eebec" ] }, { "uuid": "eb51911b-fb2c-4d27-a65b-60584ff1b067", "code": "271-347-5", "type": "PRIMARY", "url": "https://echa.europa.eu/substance-information/-/substanceinfo/100.064.841", "code_system": "ECHA (EC/EINECS)", "references": [ "64d2a69b-c385-4613-8e53-4e1efbb8bf1a" ] }, { "uuid": "3f87bde7-086b-4c89-a6a6-3c576d5e392c", "code": "1539637", "comments": "RxNorm", "type": "PRIMARY", "url": "https://rxnav.nlm.nih.gov/REST/rxcui/1539637/allProperties.xml?prop=all", "code_system": "RXCUI", "references": [ "64d2a69b-c385-4613-8e53-4e1efbb8bf1a" ] }, { "uuid": "47c9fcf9-1e55-4dfe-8dca-7229513478e0", "code": "110529", "type": "PRIMARY", "url": "https://pubchem.ncbi.nlm.nih.gov/compound/110529", "code_system": "PUBCHEM", "references": [ "64d2a69b-c385-4613-8e53-4e1efbb8bf1a" ] }, { "uuid": "47bf8d8a-a0f0-4a67-f662-305c2c30a0bf", "code": "DTXSID8071645", "type": "PRIMARY", "url": "https://comptox.epa.gov/dashboard/chemical/details/DTXSID8071645", "code_system": "EPA CompTox", "references": [ "7c0bcaf0-d8b6-1390-490e-d2c17e166c5c" ] }, { "uuid": "e150f0ec-5b8d-459d-b994-816493b4f8b7", "code": "Y32A6D7C6L", "type": "PRIMARY", "code_system": "FDA UNII" }, { "uuid": "913f9021-790c-edb0-1089-bb7b38b8e715", "code": "Y32A6D7C6L", "type": "PRIMARY", "url": "https://dailymed.nlm.nih.gov/dailymed/search.cfm?adv=1&query=Y32A6D7C6L", "code_system": "DAILYMED", "references": [ "55e846fe-ebdf-5379-8d93-13f75fdb132e" ] } ], "substance_class": "chemical", "names": [ { "uuid": "d874b1b0-e8cd-4d5c-a47a-063199adc977", "name": "AEC TRIMETHYLOLPROPANE TRIISOSTEARATE", "stdName": "AEC TRIMETHYLOLPROPANE TRIISOSTEARATE", "type": "bn", "languages": [ "en" ], "preferred": false, "references": [ "76b81bb2-1358-4801-a308-a30405851e9f", "599da6ae-6df3-4b95-9937-9e0acd0a0bf2" ], "display_name": false }, { "uuid": "abe948f4-a15f-418c-b161-3e4939110f9b", "name": "COSMOL 6318V", "stdName": "COSMOL 6318V", "type": "bn", "languages": [ "en" ], "preferred": false, "references": [ "76b81bb2-1358-4801-a308-a30405851e9f", "599da6ae-6df3-4b95-9937-9e0acd0a0bf2" ], "display_name": false }, { "uuid": "3b9e220f-4b8e-456d-91bc-609859718486", "name": "CRODAMOL TTIS", "stdName": "CRODAMOL TTIS", "type": "bn", "languages": [ "en" ], "preferred": false, "references": [ "76b81bb2-1358-4801-a308-a30405851e9f", "599da6ae-6df3-4b95-9937-9e0acd0a0bf2" ], "display_name": false }, { "uuid": "6fbfc90a-34cf-4b72-a9eb-7eec8f1b3da6", "name": "HEST T-3IS", "stdName": "HEST T-3IS", "type": "bn", "languages": [ "en" ], "preferred": false, "references": [ "76b81bb2-1358-4801-a308-a30405851e9f", "599da6ae-6df3-4b95-9937-9e0acd0a0bf2" ], "display_name": false }, { "uuid": "72119f82-7101-4aab-a465-d85dc313728d", "name": "ISOOCTADECANOIC ACID, 1,1'-(2-ETHYL-2-(((1-OXOISOOCTADECYL)OXY)METHYL)-1,3-PROPANEDIYL) ESTER", "stdName": "ISOOCTADECANOIC ACID, 1,1'-(2-ETHYL-2-(((1-OXOISOOCTADECYL)OXY)METHYL)-1,3-PROPANEDIYL) ESTER", "type": "cn", "languages": [ "en" ], "preferred": false, "references": [ "2605c6ea-5550-46a4-aa0c-f7d43186b7f4", "599da6ae-6df3-4b95-9937-9e0acd0a0bf2" ], "display_name": false }, { "uuid": "64ecf367-c9c4-48e4-bda1-20a864683684", "name": "ISOOCTADECANOIC ACID, 2-ETHYL-2-(((1-OXOISOOCTADECYL)OXY)METHYL)-1,3-PROPANEDIYL ESTER", "stdName": "ISOOCTADECANOIC ACID, 2-ETHYL-2-(((1-OXOISOOCTADECYL)OXY)METHYL)-1,3-PROPANEDIYL ESTER", "type": "cn", "languages": [ "en" ], "preferred": false, "references": [ "2605c6ea-5550-46a4-aa0c-f7d43186b7f4", "599da6ae-6df3-4b95-9937-9e0acd0a0bf2" ], "display_name": false }, { "uuid": "98449e10-6a86-4af6-9f07-a241ab41226b", "name": "KAK TTI", "stdName": "KAK TTI", "type": "bn", "languages": [ "en" ], "preferred": false, "references": [ "76b81bb2-1358-4801-a308-a30405851e9f", "599da6ae-6df3-4b95-9937-9e0acd0a0bf2" ], "display_name": false }, { "uuid": "c5d3f3df-dc42-44ef-bf39-f48937fc621c", "name": "NIKKOL TRIALAN-318H", "stdName": "NIKKOL TRIALAN-318H", "type": "bn", "languages": [ "en" ], "preferred": false, "references": [ "76b81bb2-1358-4801-a308-a30405851e9f", "599da6ae-6df3-4b95-9937-9e0acd0a0bf2" ], "display_name": false }, { "uuid": "ff02b838-6301-4884-a30f-bcc5d9282241", "name": "NS-318", "stdName": "NS-318", "type": "bn", "languages": [ "en" ], "preferred": false, "references": [ "76b81bb2-1358-4801-a308-a30405851e9f", "599da6ae-6df3-4b95-9937-9e0acd0a0bf2" ], "display_name": false }, { "uuid": "d55c512c-37f5-4bb0-85f0-c18ab51bca33", "name": "PELEMOL TMPIS", "stdName": "PELEMOL TMPIS", "type": "bn", "languages": [ "en" ], "preferred": false, "references": [ "76b81bb2-1358-4801-a308-a30405851e9f", "599da6ae-6df3-4b95-9937-9e0acd0a0bf2" ], "display_name": false }, { "uuid": "96c9cdb5-5cce-441a-b8f6-0bfe0854b1c4", "name": "SALACOS 6318", "stdName": "SALACOS 6318", "type": "bn", "languages": [ "en" ], "preferred": false, "references": [ "76b81bb2-1358-4801-a308-a30405851e9f", "599da6ae-6df3-4b95-9937-9e0acd0a0bf2" ], "display_name": false }, { "uuid": "d79f1d3e-5233-4b74-866c-1e81e8719f8e", "name": "SALACOS 6318V", "stdName": "SALACOS 6318V", "type": "bn", "languages": [ "en" ], "preferred": false, "references": [ "76b81bb2-1358-4801-a308-a30405851e9f", "599da6ae-6df3-4b95-9937-9e0acd0a0bf2" ], "display_name": false }, { "uuid": "91baf9cd-99f8-4ec5-adfe-d488606bbfc9", "name": "TRIMETHYLOLPROPANE TRIISOOCTADECANOATE", "stdName": "TRIMETHYLOLPROPANE TRIISOOCTADECANOATE", "type": "sys", "languages": [ "en" ], "preferred": false, "references": [ "2605c6ea-5550-46a4-aa0c-f7d43186b7f4", "599da6ae-6df3-4b95-9937-9e0acd0a0bf2" ], "display_name": false }, { "uuid": "c5c7f146-6cde-4571-a33b-e6509f4e064b", "name": "TRIMETHYLOLPROPANE TRIISOSTEARATE", "stdName": "TRIMETHYLOLPROPANE TRIISOSTEARATE", "type": "of", "languages": [ "en" ], "preferred": false, "references": [ "76b81bb2-1358-4801-a308-a30405851e9f", "599da6ae-6df3-4b95-9937-9e0acd0a0bf2", "3b05db76-3a57-47a6-b014-5965640ffdb5" ], "display_name": true, "domains": [ "cosmetic" ], "name_orgs": [ { "uuid": "90c28c14-a74c-4f23-a677-89d5b45cabbc", "name_org": "INCI" } ] } ], "references": [ { "uuid": "76b81bb2-1358-4801-a308-a30405851e9f", "citation": "PCPC-DB", "doc_type": "SRS", "public_domain": true, "tags": [ "NOMEN", "PUBLIC_DOMAIN_RELEASE", "AUTO_SELECTED" ] }, { "uuid": "599da6ae-6df3-4b95-9937-9e0acd0a0bf2", "citation": "PERSONAL CARE PRODUCTS COUNCIL", "doc_type": "PERSONAL CARE PRODUCTS COUNCIL", "public_domain": true, "tags": [ "NOMEN" ] }, { "uuid": "2605c6ea-5550-46a4-aa0c-f7d43186b7f4", "citation": "STN", "doc_type": "SRS", "public_domain": true, "tags": [ "NOMEN" ] }, { "uuid": "64d2a69b-c385-4613-8e53-4e1efbb8bf1a", "citation": "SRS CODE IMPORT", "doc_type": "SRS", "public_domain": true, "document_date": 1493391652000, "tags": [ "NOMEN" ] }, { "uuid": "6708c3fd-a46b-4668-948e-dbd074d84c6e", "citation": "SRS import [Y32A6D7C6L]", "url": "http://fdasis.nlm.nih.gov/srs/srsdirect.jsp?regno=Y32A6D7C6L", "doc_type": "SRS", "public_domain": true, "document_date": 1493391652000, "tags": [ "NOMEN" ] }, { "uuid": "5e9a2be5-2c30-4e2f-bd06-aba06b4559b3", "citation": "FDA_SRS", "doc_type": "SRS", "public_domain": true, "tags": [ "NOMEN" ] }, { "uuid": "3b05db76-3a57-47a6-b014-5965640ffdb5", "citation": "TRIMETHYLOLPROPANE TRIISOSTEARATE [INCI]", "doc_type": "SRS_LOCATOR", "public_domain": true }, { "uuid": "7c0bcaf0-d8b6-1390-490e-d2c17e166c5c", "citation": "WEBSITE", "url": "https://comptox.epa.gov/dashboard/dsstoxdb/results?utf8=%E2%9C%93&search=68541-50-4", "doc_type": "WEBSITE", "public_domain": true, "tags": [ "NOMEN", "PUBLIC_DOMAIN_RELEASE" ] }, { "uuid": "7f77e849-e5db-4c61-b669-43e82d8eebec", "citation": "STN", "doc_type": "STN (SCIFINDER)", "public_domain": true }, { "uuid": "55e846fe-ebdf-5379-8d93-13f75fdb132e", "citation": "DailyMed", "doc_type": "DAILYMED", "public_domain": true } ], "definition_type": "PRIMARY", "moieties": [ { "uuid": "591bce61-b556-4706-a33b-9fee3f2533ce", "id": "591bce61-b556-4706-a33b-9fee3f2533ce", "molfile": "\n Marvin 01132104372D \n\n 66 65 0 0 0 0 999 V2000\n 14.2479 -22.5348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.9158 -21.9479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.8444 -21.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.6329 -20.3306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.8353 -20.1192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 13.6192 -19.3216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.2052 -18.7401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.8216 -19.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.6100 -18.3124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.8124 -18.0964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.6009 -17.3032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8032 -17.0871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.5918 -16.2896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.7942 -16.0781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.5780 -15.2804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.7850 -15.0689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5716 -14.2764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.7786 -14.0649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.5652 -13.2725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.7722 -13.0610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.5589 -12.2684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.7659 -12.0569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.5525 -11.2645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.1855 -12.6372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.0319 -21.2705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.5030 -20.6374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.6905 -20.7841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.4070 -21.5593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.1614 -20.1511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.3490 -20.2932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8153 -19.6602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0029 -19.8070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.4738 -19.1740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6614 -19.3162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.1325 -18.6831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.3199 -18.8298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.7909 -18.1967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.9782 -18.3383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.4493 -17.7052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6364 -17.8467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.1075 -17.2136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.2947 -17.3551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.7657 -16.7220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9530 -16.8636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.9793 -15.9251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.6679 -21.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.0820 -21.8413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 16.9055 -21.8413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.3196 -21.1282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 17.3196 -22.5590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 18.1432 -22.5590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 18.5572 -23.2720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 19.3807 -23.2720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 19.7947 -23.9850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 20.6182 -23.9850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 21.0323 -24.6982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 21.8559 -24.6982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 22.2652 -25.4158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 23.0914 -25.4201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 23.5008 -26.1378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 24.3269 -26.1421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 24.7362 -26.8597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 25.5624 -26.8641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 25.9718 -27.5817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 26.7980 -27.5860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 25.5587 -28.2971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 0 0 0 0\n 3 2 1 0 0 0 0\n 4 3 1 0 0 0 0\n 3 25 1 0 0 0 0\n 3 46 1 0 0 0 0\n 4 5 1 0 0 0 0\n 6 5 1 0 0 0 0\n 6 7 2 0 0 0 0\n 8 6 1 0 0 0 0\n 9 8 1 0 0 0 0\n 10 9 1 0 0 0 0\n 11 10 1 0 0 0 0\n 12 11 1 0 0 0 0\n 13 12 1 0 0 0 0\n 14 13 1 0 0 0 0\n 15 14 1 0 0 0 0\n 16 15 1 0 0 0 0\n 16 17 1 0 0 0 0\n 17 18 1 0 0 0 0\n 18 19 1 0 0 0 0\n 19 20 1 0 0 0 0\n 20 21 1 0 0 0 0\n 21 22 1 0 0 0 0\n 22 23 1 0 0 0 0\n 22 24 1 0 0 0 0\n 25 26 1 0 0 0 0\n 27 26 1 0 0 0 0\n 27 28 2 0 0 0 0\n 29 27 1 0 0 0 0\n 30 29 1 0 0 0 0\n 31 30 1 0 0 0 0\n 32 31 1 0 0 0 0\n 33 32 1 0 0 0 0\n 34 33 1 0 0 0 0\n 35 34 1 0 0 0 0\n 36 35 1 0 0 0 0\n 37 36 1 0 0 0 0\n 37 38 1 0 0 0 0\n 38 39 1 0 0 0 0\n 39 40 1 0 0 0 0\n 40 41 1 0 0 0 0\n 41 42 1 0 0 0 0\n 42 43 1 0 0 0 0\n 43 44 1 0 0 0 0\n 43 45 1 0 0 0 0\n 46 47 1 0 0 0 0\n 48 47 1 0 0 0 0\n 48 49 2 0 0 0 0\n 50 48 1 0 0 0 0\n 51 50 1 0 0 0 0\n 52 51 1 0 0 0 0\n 53 52 1 0 0 0 0\n 54 53 1 0 0 0 0\n 55 54 1 0 0 0 0\n 56 55 1 0 0 0 0\n 57 56 1 0 0 0 0\n 58 57 1 0 0 0 0\n 58 59 1 0 0 0 0\n 59 60 1 0 0 0 0\n 60 61 1 0 0 0 0\n 61 62 1 0 0 0 0\n 62 63 1 0 0 0 0\n 63 64 1 0 0 0 0\n 64 65 1 0 0 0 0\n 64 66 1 0 0 0 0\nM END", "smiles": "CCC(COC(=O)CCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCCCC(C)C", "formula": "C60H116O6", "atropisomerism": "No", "charge": 0, "count": 1, "stereochemistry": "ACHIRAL", "count_amount": { "type": "MOL RATIO", "average": 1, "units": "MOL RATIO", "uuid": "c7235c27-c274-4225-948c-df942f6187ec" }, "defined_stereo": 0, "ez_centers": 0, "molecular_weight": "933.5617", "optical_activity": "NONE", "stereo_centers": 0 } ], "definition_level": "REPRESENTATIVE", "uuid": "0d58c037-1f58-48ff-b328-9b2d9357e4b8", "version": "5", "structure": { "id": "2f477dd0-ad8e-43bb-a335-7991a1f880df", "molfile": "\n Marvin 01132102322D \n\n 66 65 0 0 0 0 999 V2000\n 14.9158 -21.9479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.8444 -21.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.0319 -21.2705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.5030 -20.6374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.6905 -20.7841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.4070 -21.5593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.1614 -20.1511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.3490 -20.2932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8153 -19.6602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0029 -19.8070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.4738 -19.1740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6614 -19.3162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.1325 -18.6831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.3199 -18.8298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.7909 -18.1967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.6329 -20.3306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.8353 -20.1192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 13.6192 -19.3216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.2052 -18.7401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.8216 -19.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.6100 -18.3124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.8124 -18.0964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.6009 -17.3032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8032 -17.0871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.5918 -16.2896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.7942 -16.0781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.5780 -15.2804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.7850 -15.0689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.6679 -21.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.0820 -21.8413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 16.9055 -21.8413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.3196 -21.1282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 17.3196 -22.5590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 18.1432 -22.5590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 18.5572 -23.2720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 19.3807 -23.2720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 19.7947 -23.9850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 20.6182 -23.9850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 21.0323 -24.6982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 21.8559 -24.6982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 22.2652 -25.4158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.2479 -22.5348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5716 -14.2764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.7786 -14.0649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.5652 -13.2725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.7722 -13.0610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.5589 -12.2684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.7659 -12.0569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.5525 -11.2645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.1855 -12.6372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.9782 -18.3383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.4493 -17.7052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6364 -17.8467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.1075 -17.2136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.2947 -17.3551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.7657 -16.7220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9530 -16.8636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.9793 -15.9251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 23.0914 -25.4201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 23.5008 -26.1378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 24.3269 -26.1421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 24.7362 -26.8597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 25.5624 -26.8641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 25.9718 -27.5817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 26.7980 -27.5860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 25.5587 -28.2971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 5 4 1 0 0 0 0\n 5 6 2 0 0 0 0\n 7 5 1 0 0 0 0\n 8 7 1 0 0 0 0\n 9 8 1 0 0 0 0\n 10 9 1 0 0 0 0\n 11 10 1 0 0 0 0\n 12 11 1 0 0 0 0\n 13 12 1 0 0 0 0\n 14 13 1 0 0 0 0\n 15 14 1 0 0 0 0\n 16 2 1 0 0 0 0\n 16 17 1 0 0 0 0\n 18 17 1 0 0 0 0\n 18 19 2 0 0 0 0\n 20 18 1 0 0 0 0\n 21 20 1 0 0 0 0\n 22 21 1 0 0 0 0\n 23 22 1 0 0 0 0\n 24 23 1 0 0 0 0\n 25 24 1 0 0 0 0\n 26 25 1 0 0 0 0\n 27 26 1 0 0 0 0\n 28 27 1 0 0 0 0\n 2 29 1 0 0 0 0\n 29 30 1 0 0 0 0\n 31 30 1 0 0 0 0\n 31 32 2 0 0 0 0\n 33 31 1 0 0 0 0\n 34 33 1 0 0 0 0\n 35 34 1 0 0 0 0\n 36 35 1 0 0 0 0\n 37 36 1 0 0 0 0\n 38 37 1 0 0 0 0\n 39 38 1 0 0 0 0\n 40 39 1 0 0 0 0\n 41 40 1 0 0 0 0\n 1 42 1 0 0 0 0\n 28 43 1 0 0 0 0\n 43 44 1 0 0 0 0\n 44 45 1 0 0 0 0\n 45 46 1 0 0 0 0\n 46 47 1 0 0 0 0\n 47 48 1 0 0 0 0\n 48 49 1 0 0 0 0\n 48 50 1 0 0 0 0\n 15 51 1 0 0 0 0\n 51 52 1 0 0 0 0\n 52 53 1 0 0 0 0\n 53 54 1 0 0 0 0\n 54 55 1 0 0 0 0\n 55 56 1 0 0 0 0\n 56 57 1 0 0 0 0\n 56 58 1 0 0 0 0\n 41 59 1 0 0 0 0\n 59 60 1 0 0 0 0\n 60 61 1 0 0 0 0\n 61 62 1 0 0 0 0\n 62 63 1 0 0 0 0\n 63 64 1 0 0 0 0\n 64 65 1 0 0 0 0\n 64 66 1 0 0 0 0\nM END", "smiles": "CCC(COC(=O)CCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCCCC(C)C", "formula": "C60H116O6", "atropisomerism": "No", "charge": 0, "count": 1, "stereochemistry": "ACHIRAL", "defined_stereo": 0, "ez_centers": 0, "molecular_weight": "933.5617", "optical_activity": "NONE", "references": [ "5e9a2be5-2c30-4e2f-bd06-aba06b4559b3", "6708c3fd-a46b-4668-948e-dbd074d84c6e" ], "stereo_centers": 0 }, "unii": "Y32A6D7C6L" } ] }