Summary
Molecular formula: C33H52O5
SMILES: CC(=O)O[C@@H]1CC[C@]2(C(C1(C)C)CCC1=C2C[C@H](O)[C@]2([C@@]1(C)CC[C@@H]2C(CCC(=C)[C@@H](C(=O)O)C)C)C)CInChI: InChI=1S/C33H52O5/c1-19(21(3)29(36)37)10-11-20(2)23-14-17-32(8)24-12-13-26-30(5,6)28(38-22(4)34)15-16-31(26,7)25(24)18-27(35)33(23,32)9/h20-21,23,26-28,35H,1,10-18H2,2-9H3,(H,36,37)/t20?,21-,23+,26?,27-,28+,31+,32-,33-/m0/s1InChIKey: RBSWPLGAXXFHGY-JJAAPAMKSA-N
Molecular scaffolds
Scaffold Graph/Node/Bond level:C1CCC2C3=C(CCC2C1)C1CCCC1CC3
Scaffold Graph/Node level:C1CCC2C(C1)CCC1C3CCCC3CCC21
Scaffold Graph level:C1CCC2C(C1)CCC1C3CCCC3CCC21
Chemical classification
Kingdom: Organic compounds
Super class: Lipids and lipid-like moleculesClass: Prenol lipids
Sub class: Triterpenoids
Synonymous chemical names:3a-acetylpolyporenic acid
Chemical structure download