Summary

Molecular formula: C30H40O7
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=C1[C@@]32O[C@H]3C[C@@H]2[C@]1(C)CCC(=O)C2(C)C)C)O)C
InChI: InChI=1S/C30H40O7/c1-15(10-17(31)11-16(2)25(35)36)18-12-23(34)29(7)28(18,6)22(33)13-20-27(5)9-8-21(32)26(3,4)19(27)14-24-30(20,29)37-24/h10,13,16,18-19,23-24,34H,8-9,11-12,14H2,1-7H3,(H,35,36)/b15-10+/t16-,18+,19-,23-,24-,27-,28-,29+,30+/m0/s1
InChIKey: FGUBEKCWBCCEIB-CHJLPVETSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCC2C3=CC(=O)C4CCCC4C34OC4CC2C1

Scaffold Graph/Node level:
OC1CCC2C(C1)CC1OC13C1CCCC1C(O)CC23

Scaffold Graph level:
CC1CCC2C(C1)CC1CC13C1CCCC1C(C)CC23

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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 n

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External chemical identifiers:
CID_145721191; NPATLAS_NPA025428

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Chemical structure download