Summary
Molecular formula: C30H40O8
SMILES: O=C(/C=C(/[C@H]1C[C@H]([C@@]2([C@]1(C)[C@@H](O)C(=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)CInChI: InChI=1S/C30H40O8/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/h10,15,17,19,21,25,34,36H,8-9,11-13H2,1-7H3,(H,37,38)/b14-10+/t15-,17+,19-,21+,25-,28-,29-,30-/m0/s1InChIKey: PEGUBVVGNSOOBD-FBQVYEJMSA-N
Molecular scaffolds
Scaffold Graph/Node/Bond level:O=C1CCC2C3=C(C(=O)CC2C1)C1CCCC1CC3=O
Scaffold Graph/Node level:OC1CCC2C(C1)CC(O)C1C3CCCC3CC(O)C21
Scaffold Graph level:CC1CCC2C(C1)CC(C)C1C3CCCC3CC(C)C21
Chemical classification
Kingdom: Organic compounds
Super class: Lipids and lipid-like moleculesClass: Prenol lipids
Sub class: Triterpenoids
Synonymous chemical names:gibbosic acid i
External chemical identifiers:CID_145721200; NPATLAS_NPA025437
Chemical structure download