Summary

Molecular formula: C32H48O8
SMILES: CC(=O)O[C@H]([C@H]([C@H]1C[C@@](C2=C3[C@@](CC[C@]12C)(O)[C@@]1(C)CCC(=O)C([C@@H]1C[C@H]3O)(C)C)(C)O)C)C/C=C(/C(=O)O)C
InChI: InChI=1S/C32H48O8/c1-17(27(36)37)9-10-22(40-19(3)33)18(2)20-16-31(8,38)26-25-21(34)15-23-28(4,5)24(35)11-12-30(23,7)32(25,39)14-13-29(20,26)6/h9,18,20-23,34,38-39H,10-16H2,1-8H3,(H,36,37)/b17-9+/t18-,20+,21+,22-,23-,29+,30-,31+,32+/m0/s1
InChIKey: DZEJAEGGININJV-FGFSZNLVSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCC2C(CCC3=C4CCCC4CCC32)C1

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:
ganorbiformin a

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External chemical identifiers:
CID_71573692; NPATLAS_NPA007658; CHEMSPIDER_58825937; ZINC_ZINC000255208636

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Chemical structure download