Summary

Molecular formula: C31H46O4
SMILES: CC(C(=C)CC[C@H]([C@H]1C[C@@H]([C@@]2([C@]1(C)CC=C1C2=CCC2[C@]1(C)CCC(=O)C2(C)C)C)O)C(=O)O)C
InChI: InChI=1S/C31H46O4/c1-18(2)19(3)9-10-20(27(34)35)23-17-26(33)31(8)22-11-12-24-28(4,5)25(32)14-15-29(24,6)21(22)13-16-30(23,31)7/h11,13,18,20,23-24,26,33H,3,9-10,12,14-17H2,1-2,4-8H3,(H,34,35)/t20-,23-,24?,26+,29-,30-,31-/m1/s1
InChIKey: OSACBIMFKXGCAD-MXOXIGHFSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCC2C3=CCC4CCCC4C3=CCC2C1

Scaffold Graph/Node level:
OC1CCC2C(CCC3C4CCCC4CCC23)C1

Scaffold Graph level:
CC1CCC2C(CCC3C4CCCC4CCC23)C1

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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:
15α-hydroxy-3-oxo-24-methylenelanosta-7,9(11)-dien-21-oic acid, 3–keto–dehydrosulfurenic acid

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Chemical structure download