Summary

Molecular formula: C31H42O7
SMILES: COC(=O)C(CC(=O)C=C([C@@H]1CC(=O)[C@]2([C@@]1(C)CC(=O)C1=C2[C@H](O)C[C@H]2[C@@]1(C)CCC(=O)C2(C)C)C)C)C
InChI: InChI=1S/C31H42O7/c1-16(11-18(32)12-17(2)27(37)38-8)19-13-24(36)31(7)26-20(33)14-22-28(3,4)23(35)9-10-29(22,5)25(26)21(34)15-30(19,31)6/h11,17,19-20,22,33H,9-10,12-15H2,1-8H3/t17?,19-,20+,22+,29+,30-,31+/m0/s1
InChIKey: LPWWIRLWNQPIDU-HPMKLVFXSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCC2C3=C(CCC2C1)C1C(=O)CCC1CC3=O

Scaffold Graph/Node level:
OC1CCC2C(CCC3C4C(O)CCC4CC(O)C23)C1

Scaffold Graph level:
CC1CCC2C(CCC3C4C(C)CCC4CC(C)C23)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:
7b-hydroxy-3,11,15,23-tetraoxolanosta-8,20e(22)-dien-26-oic acid methyl ester

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Chemical structure download