Summary

Molecular formula: C35H54O7
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](CCC(=C)[C@@H](C(=O)O)C)C)C)C
InChI: InChI=1S/C35H54O7/c1-20(22(3)31(39)40)10-11-21(2)23-14-17-34(7)24-12-13-26-32(4,5)28(42-30(38)19-29(37)41-9)15-16-33(26,6)25(24)18-27(36)35(23,34)8/h21-23,26-28,36H,1,10-19H2,2-9H3,(H,39,40)/t21-,22+,23-,26+,27-,28-,33-,34+,35+/m1/s1
InChIKey: VATQJYHZJDBTRN-FPTGVVBESA-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 h

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External chemical identifiers:
CID_139585089; CHEMSPIDER_78443388

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Chemical structure download