Summary

Molecular formula: C31H48O3
SMILES: CC(C(=C)CC[C@H]([C@H]1CC[C@@]2([C@]1(C)CCC1=C2CC[C@@H]2[C@]1(C)CCC(=O)C2(C)C)C)C(=O)O)C
InChI: InChI=1S/C31H48O3/c1-19(2)20(3)9-10-21(27(33)34)22-13-17-31(8)24-11-12-25-28(4,5)26(32)15-16-29(25,6)23(24)14-18-30(22,31)7/h19,21-22,25H,3,9-18H2,1-2,4-8H3,(H,33,34)/t21-,22-,25+,29-,30-,31+/m1/s1
InChIKey: KBZOWVQYHZLSSX-DIQRFASRSA-N

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Molecular scaffolds

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

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: Prenol lipids
Sub class: Triterpenoids

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Synonymous chemical names:
fomefficinic acid a

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External chemical identifiers:
CID_11431307; CHEMSPIDER_9606182; ZINC_ZINC000086050835

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Chemical structure download