Summary
Molecular formula: C31H46O4
SMILES: CC(C(=C)CC[C@H]([C@H]1[C@H](O)C[C@@]2([C@]1(C)CC=C1C2=CC[C@@H]2[C@]1(C)CCC(=O)C2(C)C)C)C(=O)O)CInChI: InChI=1S/C31H46O4/c1-18(2)19(3)9-10-20(27(34)35)26-23(32)17-31(8)22-11-12-24-28(4,5)25(33)14-15-29(24,6)21(22)13-16-30(26,31)7/h11,13,18,20,23-24,26,32H,3,9-10,12,14-17H2,1-2,4-8H3,(H,34,35)/t20-,23-,24+,26+,29-,30-,31+/m1/s1InChIKey: KPKYWYZPIVAHKU-WMNQUVFJSA-N
Molecular scaffolds
Scaffold Graph/Node/Bond level:O=C1CCC2C3=CCC4CCCC4C3=CCC2C1
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: Steroids and steroid derivatives
Sub class: Bile acids, alcohols and derivatives
Synonymous chemical names:polyporenic acid b, polyporenic acid c
External chemical identifiers:CAS_508-24-7; CHEMSPIDER_7981050; ZINC_ZINC000013334854; Molport_MolPort-039-338-563
Chemical structure download