Summary

Molecular formula: C29H42O3
SMILES: O=C/C(=C(/CC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC(=O)C1=C2CC[C@@H]2[C@]1(C)CCC(=O)[C@H]2C)C)C)/C
InChI: InChI=1S/C29H42O3/c1-17(19(3)16-30)7-8-18(2)22-11-12-24-21-9-10-23-20(4)25(31)13-14-28(23,5)27(21)26(32)15-29(22,24)6/h16,18,20,22-24H,7-15H2,1-6H3/b19-17+/t18-,20+,22-,23+,24+,28+,29-/m1/s1
InChIKey: STFSHYVJFWAGBH-MLZUSFEJSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCC2C3=C(CCC2C1)C1CCCC1CC3=O

Scaffold Graph/Node level:
OC1CCC2C(CCC3C4CCCC4CC(O)C23)C1

Scaffold Graph level:
CC1CCC2C(CCC3C4CCCC4CC(C)C23)C1

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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:
antcamphin c

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External chemical identifiers:
ZINC_ZINC000255268798

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Chemical structure download