Summary
Molecular formula: C33H48O5
SMILES: CC(=O)O[C@H]1C[C@@H]([C@@]2([C@]1(C)C1=CC[C@@H]3[C@](C1=CC2)(C)CCC(=O)C3(C)C)C)[C@H](C(=O)O)CCC(=C)C(C)CInChI: InChI=1S/C33H48O5/c1-19(2)20(3)10-11-22(29(36)37)25-18-28(38-21(4)34)33(9)24-12-13-26-30(5,6)27(35)15-16-31(26,7)23(24)14-17-32(25,33)8/h12,14,19,22,25-26,28H,3,10-11,13,15-18H2,1-2,4-9H3,(H,36,37)/t22-,25-,26+,28+,31-,32-,33-/m1/s1InChIKey: FVOOCQKPVCFFSH-VPDRPMEHSA-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: Ergostane steroids
Synonymous chemical names:fomefficinic acid e
External chemical identifiers:ZINC_ZINC000085602264
Chemical structure download