methyl 2-(10,13-dimethyl-12-oxidanyl-3-oxidanylidene-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)propanoate

Systemtic Name: methyl 2-(10,13-dimethyl-12-oxidanyl-3-oxidanylidene-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)propanoate Openeye Name: methyl 2-(12-hydroxy-10,13-dimethyl-3-oxo-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)propanoate CAS Name: 2-(12-hydroxy-10,13-dimethyl-3-oxo-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)propanoic acid methyl ester IUPAC Name: methyl 2-(12-hydroxy-10,13-dimethyl-3-oxo-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)propanoate Traditional Name: 2-(12-hydroxy-3-keto-10,13-dimethyl-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)propionic acid methyl ester Formula: C23H32O4 MolecularWeight: 372.49778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCC2C1(C(CC3C2C=CC4=CC(=O)CCC34C)O)C)C(=O)OC

Isomeric SMILES

CC(C1CCC2C1(C(CC3C2C=CC4=CC(=O)CCC34C)O)C)C(=O)OC

InChI

InChI=1S/C23H32O4/c1-13(21(26)27-4)17-7-8-18-16-6-5-14-11-15(24)9-10-22(14,2)19(16)12-20(25)23(17,18)3/h5-6,11,13,16-20,25H,7-10,12H2,1-4H3