Summary

Molecular formula: C28H42O4
SMILES: OC1CCC2(C3(C1)OOC12CCC2(C(=C1C(=O)C3)CCC2C(/C=C/C(C(C)C)C)C)C)C
InChI: InChI=1S/C28H42O4/c1-17(2)18(3)7-8-19(4)21-9-10-22-24-23(30)16-27-15-20(29)11-12-26(27,6)28(24,32-31-27)14-13-25(21,22)5/h7-8,17-21,29H,9-16H2,1-6H3/b8-7+
InChIKey: LJBJXGTWGWODIW-BQYQJAHWSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC23CCCCC2C2(CCC4CCCC4=C12)OO3

Scaffold Graph/Node level:
OC1CC23CCCCC2C2(CCC4CCCC4C12)OO3

Scaffold Graph level:
CC1CC23CCCCC2C2(CCC4CCCC4C12)CC3

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Chemical classification

Kingdom: Organic compounds
Super class: Lipids and lipid-like molecules
Class: Steroids and steroid derivatives
Sub class: Ergostane steroids

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Synonymous chemical names:
gargalol b

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External chemical identifiers:
CID_54590538; NPATLAS_NPA016807; CHEMSPIDER_78443672

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Chemical structure download