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=CC1=C2C(=O)C[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(34)30(7)25-19(8-11-29(20,30)6)28(5)10-9-23(33)27(3,4)22(28)15-21(25)32/h8,11-12,17,20,22,24,34H,9-10,13-15H2,1-7H3,(H,35,36)/b16-12+/t17-,20+,22-,24+,28+,29+,30-/m0/s1
InChIKey: FOKGULQDAMDMHZ-MDOZXWPMSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCC2C3=C(C(=O)CC2C1)C1CCCC1C=C3

Scaffold Graph/Node level:
OC1CCC2C(C1)CC(O)C1C3CCCC3CCC21

Scaffold Graph level:
CC1CCC2C(C1)CC(C)C1C3CCCC3CCC21

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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 m

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External chemical identifiers:
CID_145721190; NPATLAS_NPA025427

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Chemical structure download