Summary

Molecular formula: C31H46O5
SMILES: OC[C@@]1(C)C(=O)CC[C@]2([C@H]1CC=C1C2=CC[C@]2([C@@]1(C)C[C@H]([C@@H]2[C@H](C(=O)O)CCC(=C)C(C)C)O)C)C
InChI: InChI=1S/C31H46O5/c1-18(2)19(3)8-9-20(27(35)36)26-23(33)16-31(7)22-10-11-24-28(4,21(22)12-15-30(26,31)6)14-13-25(34)29(24,5)17-32/h10,12,18,20,23-24,26,32-33H,3,8-9,11,13-17H2,1-2,4-7H3,(H,35,36)/t20-,23-,24-,26+,28-,29-,30-,31+/m1/s1
InChIKey: WMGIVNDVJFWFEU-ROUXZGEUSA-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:
29-hydroxypolyporenic acid c

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External chemical identifiers:
CID_139585448; NPATLAS_NPA008418; CHEMSPIDER_78441042; ZINC_ZINC000059585766

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Chemical structure download