Summary

Molecular formula: C35H54O8
SMILES: COC(=O)CC(=O)O[C@@H]1CC[C@]2([C@H](C1(C)C)CCC1=C2C[C@@H](O)[C@]2([C@@]1(C)CC[C@@H]2[C@@H](CC(=O)[C@@H]([C@@H](C(=O)O)C)C)C)C)C
InChI: InChI=1S/C35H54O8/c1-19(16-25(36)20(2)21(3)31(40)41)22-12-15-34(7)23-10-11-26-32(4,5)28(43-30(39)18-29(38)42-9)13-14-33(26,6)24(23)17-27(37)35(22,34)8/h19-22,26-28,37H,10-18H2,1-9H3,(H,40,41)/t19-,20-,21+,22-,26+,27-,28-,33-,34+,35+/m1/s1
InChIKey: LAWBLAWJAKHJFL-QIGXFMRVSA-N

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Molecular scaffolds

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

Scaffold Graph/Node level:
C1CCC2C(C1)CCC1C3CCCC3CCC21

Scaffold Graph level:
C1CCC2C(C1)CCC1C3CCCC3CCC21

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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:
officimalonic acid e

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External chemical identifiers:
CID_139585791; CHEMSPIDER_78443394

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Chemical structure download