Summary

Molecular formula: C29H40O6
SMILES: C=C(C(C(=O)O)C)CC[C@H]([C@H]1CC[C@@]2([C@]1(C)CC(=O)C1=C2C(=O)CC2[C@]1(C)CCC(=O)[C@H]2C)O)C
InChI: InChI=1S/C29H40O6/c1-15(17(3)26(33)34)7-8-16(2)19-9-12-29(35)25-22(31)13-20-18(4)21(30)10-11-27(20,5)24(25)23(32)14-28(19,29)6/h16-20,35H,1,7-14H2,2-6H3,(H,33,34)/t16-,17?,18+,19-,20?,27+,28-,29-/m1/s1
InChIKey: ZEXGDMONMBETSX-KFMVYKGZSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCC2C3=C(C(=O)CC2C1)C1CCCC1CC3=O

Scaffold Graph/Node level:
OC1CCC2C(C1)CC(O)C1C3CCCC3CC(O)C21

Scaffold Graph level:
CC1CCC2C(C1)CC(C)C1C3CCCC3CC(C)C21

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Chemical classification

Kingdom: Organic compounds
Super class: Lipids and lipid-like molecules
Class: Steroids and steroid derivatives
Sub class: Bile acids, alcohols and derivatives

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Synonymous chemical names:
antcin d

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External chemical identifiers:
CID_15786229; CAS_172617-74-2

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Chemical structure download