Summary
Molecular formula: C31H48O4
SMILES: CC(C(=C)CC[C@H]([C@H]1C[C@@H]([C@@]2([C@]1(C)CC=C1C2=CC[C@@H]2[C@]1(C)CC[C@H](C2(C)C)O)C)O)C(=O)O)CInChI: InChI=1S/C31H48O4/c1-18(2)19(3)9-10-20(27(34)35)23-17-26(33)31(8)22-11-12-24-28(4,5)25(32)14-15-29(24,6)21(22)13-16-30(23,31)7/h11,13,18,20,23-26,32-33H,3,9-10,12,14-17H2,1-2,4-8H3,(H,34,35)/t20-,23-,24+,25-,26+,29-,30-,31-/m1/s1InChIKey: DGVHJZPQGFRVEC-ULCNFEHNSA-N
Molecular scaffolds
Scaffold Graph/Node/Bond level:C1=C2C(=CCC3CCCCC23)C2CCCC2C1
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: Steroids and steroid derivatives
Sub class: Bile acids, alcohols and derivatives
Synonymous chemical names:fomefficinic acid b
External chemical identifiers:CID_11179204; CHEMSPIDER_9354294; ZINC_ZINC000038336273
Chemical structure download