Summary
Molecular formula: C31H48O5
SMILES: OC(=O)[C@@H]([C@H]1[C@H](O)C[C@@]2([C@]1(C)CCC1=C2CC[C@@H]2[C@]1(C)CCC(=O)C2(C)C)C)CCC(=C)C(O)(C)CInChI: InChI=1S/C31H48O5/c1-18(28(4,5)36)9-10-19(26(34)35)25-22(32)17-31(8)21-11-12-23-27(2,3)24(33)14-15-29(23,6)20(21)13-16-30(25,31)7/h19,22-23,25,32,36H,1,9-17H2,2-8H3,(H,34,35)/t19-,22-,23+,25+,29-,30-,31+/m1/s1InChIKey: YEXYFLGTSGQWMI-IMOFTLGFSA-N
Molecular scaffolds
Scaffold Graph/Node/Bond level:O=C1CCC2C3=C(CCC2C1)C1CCCC1CC3
Scaffold Graph/Node level:OC1CCC2C(CCC3C4CCCC4CCC23)C1
Scaffold Graph level:CC1CCC2C(CCC3C4CCCC4CCC23)C1
Chemical classification
Kingdom: Organic compounds
Super class: Lipids and lipid-like moleculesClass: Prenol lipids
Sub class: Triterpenoids
Synonymous chemical names:16α,25-dihydroxyeburiconic acid
External chemical identifiers:CID_46882674; NPATLAS_NPA019975; ZINC_ZINC000048998527
Chemical structure download