{ "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": "2026-09-09", "results": { "skip": 0, "limit": 1, "total": 1 } }, "results": [ { "codes": [ { "uuid": "b5bc3a31-602d-4dcf-9975-3d01eee40007", "code": "107964-05-6", "type": "PRIMARY", "url": "https://commonchemistry.cas.org/detail?cas_rn=107964-05-6", "code_system": "CAS", "references": [ "8d03dc3f-298b-4f12-b89c-a3c5855e17fd", "6cd81e4d-fece-4c28-b590-cb5803e360ed" ] }, { "uuid": "f2f11ebe-c164-4e13-b620-7a762635ae17", "code": "91864475", "type": "PRIMARY", "url": "https://pubchem.ncbi.nlm.nih.gov/compound/91864475", "code_system": "PUBCHEM", "references": [ "8d03dc3f-298b-4f12-b89c-a3c5855e17fd" ] }, { "uuid": "57ac909f-9c26-4a7f-ba37-34b490c38029", "code": "9VAJ5Q3BGM", "type": "PRIMARY", "code_system": "FDA UNII" } ], "substance_class": "chemical", "names": [ { "uuid": "f34c523b-af21-4e12-af88-b3c6d982dbfe", "name": "CALCIUM .BETA.-SITOSTERYL SULFATE", "stdName": "CALCIUM .BETA.-SITOSTERYL SULFATE", "type": "cn", "languages": [ "en" ], "preferred": false, "references": [ "0be57602-383c-4830-ba1c-2d3165981433", "8b350f5b-244a-4571-96bc-070f31ae2c62" ], "display_name": true }, { "uuid": "93695c9e-6198-42c3-b4e1-9527129d9c49", "name": "CALCIUM BETA-SITOSTERYL SULFATE", "stdName": "CALCIUM BETA-SITOSTERYL SULFATE", "type": "of", "languages": [ "en" ], "preferred": true, "references": [ "c4261aa2-1e71-4e54-b51c-d040c2eefb47", "0be57602-383c-4830-ba1c-2d3165981433", "8b350f5b-244a-4571-96bc-070f31ae2c62" ], "display_name": false, "domains": [ "cosmetic" ], "name_orgs": [ { "uuid": "02bbcec9-e8b0-4e7a-ae60-19503d15d682", "name_org": "INCI" } ] }, { "uuid": "7a6c76d7-e762-4caa-b501-a8888d8e49e8", "name": "CALCIUM STIGMAST-5-EN-3.BETA.-YL SULFATE", "stdName": "CALCIUM STIGMAST-5-EN-3.BETA.-YL SULFATE", "type": "sys", "languages": [ "en" ], "preferred": false, "references": [ "4079ed6b-975d-4bfd-ab1f-6b181877a3f5", "0be57602-383c-4830-ba1c-2d3165981433" ], "display_name": false } ], "references": [ { "uuid": "8b350f5b-244a-4571-96bc-070f31ae2c62", "citation": "PCPC-DB", "doc_type": "SRS", "public_domain": true, "tags": [ "NOMEN", "PUBLIC_DOMAIN_RELEASE", "AUTO_SELECTED" ] }, { "uuid": "0be57602-383c-4830-ba1c-2d3165981433", "citation": "PERSONAL CARE PRODUCTS COUNCIL", "doc_type": "PERSONAL CARE PRODUCTS COUNCIL", "public_domain": true, "tags": [ "NOMEN" ] }, { "uuid": "4079ed6b-975d-4bfd-ab1f-6b181877a3f5", "citation": "STN", "doc_type": "SRS", "public_domain": true, "tags": [ "NOMEN" ] }, { "uuid": "8d03dc3f-298b-4f12-b89c-a3c5855e17fd", "citation": "SRS CODE IMPORT", "doc_type": "SRS", "public_domain": true, "document_date": 1493393360000, "tags": [ "NOMEN" ] }, { "uuid": "da2614c3-9743-43be-946a-3ef4fb2cf325", "citation": "SRS import [9VAJ5Q3BGM]", "url": "http://fdasis.nlm.nih.gov/srs/srsdirect.jsp?regno=9VAJ5Q3BGM", "doc_type": "SRS", "public_domain": true, "document_date": 1493393360000, "tags": [ "NOMEN" ] }, { "uuid": "c4261aa2-1e71-4e54-b51c-d040c2eefb47", "citation": "CALCIUM BETA-SITOSTERYL SULFATE [INCI]", "doc_type": "SRS_LOCATOR", "public_domain": true }, { "uuid": "6cd81e4d-fece-4c28-b590-cb5803e360ed", "citation": "STN", "doc_type": "STN (SCIFINDER)", "public_domain": true } ], "definition_type": "PRIMARY", "moieties": [ { "uuid": "d3e019ff-9244-40d0-a115-34ba32262caf", "id": "d3e019ff-9244-40d0-a115-34ba32262caf", "molfile": "\n Marvin 01132110592D \n\n 1 0 0 0 1 0 999 V2000\n 23.5338 -11.0506 0.0000 Ca 0 2 0 0 0 0 0 0 0 0 0 0\nM CHG 1 1 2\nM END", "smiles": "[Ca+2]", "formula": "Ca", "atropisomerism": "No", "charge": 2, "count": 1, "stereochemistry": "ACHIRAL", "count_amount": { "type": "MOL RATIO", "average": 1, "units": "MOL RATIO", "uuid": "86810b0b-ee03-47b7-a0be-621daa840138" }, "defined_stereo": 0, "ez_centers": 0, "molecular_weight": "40.078", "optical_activity": "NONE", "stereo_centers": 0 }, { "uuid": "1e72f930-04c6-48d9-9e13-2e58326342e0", "id": "1e72f930-04c6-48d9-9e13-2e58326342e0", "molfile": "\n Marvin 01132101452D \n\n 34 37 0 0 1 0 999 V2000\n 17.1207 -10.8422 0.0000 C 0 0 2 0 0 0 0 0 0 1 0 0\n 16.4483 -10.3640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.8709 -10.4990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.9489 -9.6779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 18.6992 -9.3347 0.0000 C 0 0 1 0 0 0 0 0 0 1 0 0\n 19.3714 -9.8129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 19.2935 -10.6341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 18.7772 -8.5134 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 19.5273 -8.1703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 18.1048 -8.0353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.0427 -11.6635 0.0000 C 0 0 1 0 0 0 0 0 0 1 0 0\n 17.4118 -12.4014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.8241 -12.9804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.0919 -12.6005 0.0000 C 0 0 1 0 0 0 0 0 0 2 0 0\n 15.3195 -12.8903 0.0000 C 0 0 2 0 0 0 0 0 0 2 0 0\n 15.1844 -13.7043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.4121 -13.9942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.7748 -13.4703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.0025 -13.7603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.3652 -13.2363 0.0000 C 0 0 2 0 0 0 0 0 0 2 0 0\n 12.5001 -12.4226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.2726 -12.1326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.9099 -12.6563 0.0000 C 0 0 1 0 0 0 0 0 0 1 0 0\n 14.0449 -11.8426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.6822 -12.3665 0.0000 C 0 0 1 0 0 0 0 0 0 2 0 0\n 14.8172 -11.5526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.5896 -11.2626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.2269 -11.7865 0.0000 C 0 0 2 0 0 0 0 0 0 1 0 0\n 16.4463 -10.9913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5928 -13.5263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4577 -14.3401 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 10.6438 -14.2051 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 12.2715 -14.4753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 11.3226 -15.1540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 6 0 0 0\n 1 3 1 0 0 0 0\n 11 1 1 0 0 0 0\n 4 3 1 0 0 0 0\n 5 4 1 0 0 0 0\n 5 6 1 0 0 0 0\n 5 8 1 6 0 0 0\n 7 6 1 0 0 0 0\n 9 8 1 0 0 0 0\n 10 8 1 0 0 0 0\n 11 12 1 1 0 0 0\n 11 28 1 0 0 0 0\n 12 13 1 0 0 0 0\n 14 13 1 1 0 0 0\n 14 15 1 0 0 0 0\n 28 14 1 0 0 0 0\n 15 16 1 6 0 0 0\n 15 25 1 0 0 0 0\n 17 16 1 0 0 0 0\n 17 18 2 0 0 0 0\n 19 18 1 0 0 0 0\n 23 18 1 0 0 0 0\n 20 19 1 0 0 0 0\n 20 21 1 0 0 0 0\n 20 30 1 1 0 0 0\n 21 22 1 0 0 0 0\n 23 22 1 0 0 0 0\n 23 24 1 1 0 0 0\n 25 23 1 0 0 0 0\n 25 26 1 1 0 0 0\n 26 27 1 0 0 0 0\n 28 27 1 0 0 0 0\n 28 29 1 1 0 0 0\n 30 31 1 0 0 0 0\n 31 32 1 0 0 0 0\n 31 33 2 0 0 0 0\n 31 34 2 0 0 0 0\nM CHG 1 32 -1\nM END", "smiles": "CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OS(=O)(=O)[O-])[C@@H](C)C", "formula": "C29H49O4S", "atropisomerism": "No", "charge": -1, "count": 2, "stereochemistry": "ABSOLUTE", "count_amount": { "type": "MOL RATIO", "average": 2, "units": "MOL RATIO", "uuid": "858fc3b6-f171-4c19-bc3c-b57020f94f79" }, "defined_stereo": 9, "ez_centers": 0, "molecular_weight": "493.7641", "optical_activity": "UNSPECIFIED", "stereo_centers": 9 } ], "definition_level": "COMPLETE", "uuid": "d4735564-2e9b-4f43-aa6c-6c88a8b68591", "version": "3", "structure": { "id": "ff8d748f-f942-405b-9f2a-5e579166f70f", "molfile": "\n Marvin 01132113142D \n\n 77 82 0 0 1 0 999 V2000\n 10.6438 -14.2051 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 12.2715 -14.4753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 11.3226 -15.1540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4577 -14.3401 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5928 -13.5263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 14.5472 -13.1804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 15.5896 -11.2626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.8172 -11.5526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.0449 -11.8426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.2726 -12.1326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.5001 -12.4226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.0025 -13.7603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.7748 -13.4703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.4121 -13.9942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.1844 -13.7043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.4546 -12.0765 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 16.0426 -13.4239 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 16.8241 -12.9804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.4118 -12.4014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 19.5273 -8.1703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 18.1048 -8.0353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 18.7772 -8.5134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 19.2935 -10.6341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 19.3714 -9.8129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.9489 -9.6779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.8709 -10.4990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.4483 -10.3640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.8152 -11.3735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 16.4463 -10.9913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.6822 -12.3665 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 13.9099 -12.6563 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 12.3652 -13.2363 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 15.3195 -12.8903 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 16.0919 -12.6005 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 18.6992 -9.3347 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 17.1207 -10.8422 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 17.0427 -11.6635 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 16.2269 -11.7865 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 23.5338 -11.0506 0.0000 Ca 0 2 0 0 0 0 0 0 0 0 0 0\n 10.6438 -14.2051 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 12.2715 -14.4753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 11.3226 -15.1540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4577 -14.3401 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5928 -13.5263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 14.5472 -13.1804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 15.5896 -11.2626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.8172 -11.5526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.0449 -11.8426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.2726 -12.1326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.5001 -12.4226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.0025 -13.7603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.7748 -13.4703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.4121 -13.9942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.1844 -13.7043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.4546 -12.0765 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 16.0426 -13.4239 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 16.8241 -12.9804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.4118 -12.4014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 19.5273 -8.1703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 18.1048 -8.0353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 18.7772 -8.5134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 19.2935 -10.6341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 19.3714 -9.8129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.9489 -9.6779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.8709 -10.4990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.4483 -10.3640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.8152 -11.3735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 16.4463 -10.9913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.6822 -12.3665 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 13.9099 -12.6563 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 12.3652 -13.2363 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 15.3195 -12.8903 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 16.0919 -12.6005 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 18.6992 -9.3347 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 17.1207 -10.8422 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 17.0427 -11.6635 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 16.2269 -11.7865 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 4 3 2 0 0 0 0\n 4 2 2 0 0 0 0\n 4 1 1 0 0 0 0\n 5 4 1 0 0 0 0\n 8 7 1 0 0 0 0\n 11 10 1 0 0 0 0\n 12 13 1 0 0 0 0\n 14 13 2 0 0 0 0\n 14 15 1 0 0 0 0\n 19 18 1 0 0 0 0\n 21 22 1 0 0 0 0\n 20 22 1 0 0 0 0\n 23 24 1 0 0 0 0\n 25 26 1 0 0 0 0\n 8 30 1 0 0 0 0\n 30 6 1 6 0 0 0\n 31 30 1 0 0 0 0\n 13 31 1 0 0 0 0\n 10 31 1 0 0 0 0\n 31 9 1 1 0 0 0\n 32 12 1 0 0 0 0\n 32 11 1 0 0 0 0\n 32 5 1 1 0 0 0\n 30 33 1 0 0 0 0\n 33 16 1 1 0 0 0\n 15 33 1 0 0 0 0\n 33 34 1 0 0 0 0\n 18 34 1 0 0 0 0\n 34 17 1 6 0 0 0\n 35 25 1 0 0 0 0\n 35 24 1 6 0 0 0\n 22 35 1 0 0 0 0\n 36 27 1 6 0 0 0\n 26 36 1 0 0 0 0\n 37 36 1 0 0 0 0\n 37 28 1 6 0 0 0\n 19 37 1 0 0 0 0\n 37 38 1 0 0 0 0\n 34 38 1 0 0 0 0\n 38 29 1 1 0 0 0\n 7 38 1 0 0 0 0\n 43 40 1 0 0 0 0\n 43 41 2 0 0 0 0\n 43 42 2 0 0 0 0\n 44 43 1 0 0 0 0\n 71 44 1 1 0 0 0\n 69 45 1 6 0 0 0\n 47 46 1 0 0 0 0\n 46 77 1 0 0 0 0\n 47 69 1 0 0 0 0\n 70 48 1 1 0 0 0\n 50 49 1 0 0 0 0\n 49 70 1 0 0 0 0\n 71 50 1 0 0 0 0\n 51 52 1 0 0 0 0\n 71 51 1 0 0 0 0\n 53 52 2 0 0 0 0\n 52 70 1 0 0 0 0\n 53 54 1 0 0 0 0\n 54 72 1 0 0 0 0\n 72 55 1 1 0 0 0\n 73 56 1 6 0 0 0\n 58 57 1 0 0 0 0\n 57 73 1 0 0 0 0\n 58 76 1 0 0 0 0\n 59 61 1 0 0 0 0\n 60 61 1 0 0 0 0\n 61 74 1 0 0 0 0\n 62 63 1 0 0 0 0\n 74 63 1 6 0 0 0\n 64 65 1 0 0 0 0\n 74 64 1 0 0 0 0\n 65 75 1 0 0 0 0\n 75 66 1 6 0 0 0\n 76 67 1 6 0 0 0\n 77 68 1 1 0 0 0\n 70 69 1 0 0 0 0\n 69 72 1 0 0 0 0\n 72 73 1 0 0 0 0\n 73 77 1 0 0 0 0\n 76 75 1 0 0 0 0\n 76 77 1 0 0 0 0\nM CHG 3 1 -1 39 2 40 -1\nM STY 1 1 MUL\nM SCN 1 1 HT \nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30\nM SAL 1 15 31 32 33 34 35 36 37 38 40 41 42 43 44 45 46\nM SAL 1 15 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61\nM SAL 1 15 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76\nM SAL 1 1 77\nM SPA 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SPA 1 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30\nM SPA 1 8 31 32 33 34 35 36 37 38\nM SDI 1 4 10.2238 -15.5740 10.2238 -7.6153\nM SDI 1 4 19.9473 -7.6153 19.9473 -15.5740\nM SMT 1 2\nM END", "smiles": "CC[C@H](CC[C@@H](C)[C@@]1([H])CC[C@@]2([H])[C@]3([H])CC=C4C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OS(=O)(=O)[O-])C(C)C.CC[C@H](CC[C@@H](C)[C@@]1([H])CC[C@@]2([H])[C@]3([H])CC=C4C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OS(=O)(=O)[O-])C(C)C.[Ca+2]", "formula": "2C29H49O4S.Ca", "atropisomerism": "No", "charge": 0, "count": 1, "stereochemistry": "ABSOLUTE", "defined_stereo": 18, "ez_centers": 0, "molecular_weight": "1027.6063", "optical_activity": "UNSPECIFIED", "references": [ "da2614c3-9743-43be-946a-3ef4fb2cf325", "4079ed6b-975d-4bfd-ab1f-6b181877a3f5" ], "stereo_centers": 18 }, "unii": "9VAJ5Q3BGM" } ] }