Summary

Molecular formula: C30H42O8
SMILES: O=C(/C=C(/[C@H]1C[C@H]([C@@]2([C@]1(C)[C@@H](O)[C@H](O)C1=C2C(=O)C[C@@H]2[C@]1(C)CCC(=O)C2(C)C)C)O)C)C[C@@H](C(=O)O)C
InChI: InChI=1S/C30H42O8/c1-14(10-16(31)11-15(2)26(37)38)17-12-21(34)30(7)22-18(32)13-19-27(3,4)20(33)8-9-28(19,5)23(22)24(35)25(36)29(17,30)6/h10,15,17,19,21,24-25,34-36H,8-9,11-13H2,1-7H3,(H,37,38)/b14-10+/t15-,17+,19-,21+,24+,25-,28-,29-,30-/m0/s1
InChIKey: DDISIVDLQGVXCN-XIZGVELHSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCC2C3=C(C(=O)CC2C1)C1CCCC1CC3

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 j

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External chemical identifiers:
CID_145721187; NPATLAS_NPA025424

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Chemical structure download