Summary

Molecular formula: C31H44O5
SMILES: OC(=O)CC[C@@]1(C)[C@H](CC=C2C1=CC[C@]1([C@@]2(C)CC[C@@H]1[C@@H](CC(=O)C(=C)C(C(=O)O)C)C)C)C(=C)C
InChI: InChI=1S/C31H44O5/c1-18(2)22-9-10-25-24(29(22,6)14-13-27(33)34)12-16-30(7)23(11-15-31(25,30)8)19(3)17-26(32)20(4)21(5)28(35)36/h10,12,19,21-23H,1,4,9,11,13-17H2,2-3,5-8H3,(H,33,34)(H,35,36)/t19-,21?,22-,23-,29+,30-,31+/m1/s1
InChIKey: ZJMBUNAZIDNVOV-KUDMQRJLSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=C2CCCC=C2C2CCCC2C1

Scaffold Graph/Node level:
C1CCC2C(C1)CCC1CCCC12

Scaffold Graph level:
C1CCC2C(C1)CCC1CCCC12

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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:
(+)-23-oxo-3,4-seco-lanosta-4(28),7(8),9(11),24(31)-tetraene-3,26-dicarboxylic acid

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External chemical identifiers:
CID_11584123; NPATLAS_NPA000725; CHEMSPIDER_9758888

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Chemical structure download