Summary

Molecular formula: C30H40O6
SMILES: O=C(C[C@@H](C(=O)O)C)/C=C(/[C@H]1C[C@@H]([C@@]2([C@]1(C)C(=O)C=C1C2=CC[C@@H]2[C@]1(C)CCC(=O)C2(C)C)C)O)C
InChI: InChI=1S/C30H40O6/c1-16(12-18(31)13-17(2)26(35)36)20-14-24(33)29(6)19-8-9-22-27(3,4)23(32)10-11-28(22,5)21(19)15-25(34)30(20,29)7/h8,12,15,17,20,22,24,33H,9-11,13-14H2,1-7H3,(H,35,36)/b16-12+/t17-,20+,22-,24-,28+,29+,30-/m0/s1
InChIKey: AWDXEDPZZFRKNY-VTOTWIFMSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCC2C3=CC(=O)C4CCCC4C3=CCC2C1

Scaffold Graph/Node level:
OC1CCC2C(CCC3C4CCCC4C(O)CC23)C1

Scaffold Graph level:
CC1CCC2C(CCC3C4CCCC4C(C)CC23)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:
gibbosic acid o

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External chemical identifiers:
CID_145721192; NPATLAS_NPA025429

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Chemical structure download