methyl 10-(hydroxymethyl)-13-methyl-3-oxidanylidene-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-17-carboxylate

Systemtic Name: methyl 10-(hydroxymethyl)-13-methyl-3-oxidanylidene-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-17-carboxylate Openeye Name: methyl 10-(hydroxymethyl)-13-methyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-17-carboxylate CAS Name: 10-(hydroxymethyl)-13-methyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-17-carboxylic acid methyl ester IUPAC Name: methyl 10-(hydroxymethyl)-13-methyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-17-carboxylate Traditional Name: 3-keto-13-methyl-10-methylol-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-17-carboxylic acid methyl ester Formula: C21H30O4 MolecularWeight: 346.4605

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3C(C1CCC2C(=O)OC)CCC4=CC(=O)CCC34CO

Isomeric SMILES

CC12CCC3C(C1CCC2C(=O)OC)CCC4=CC(=O)CCC34CO

InChI

InChI=1S/C21H30O4/c1-20-9-8-17-15(16(20)5-6-18(20)19(24)25-2)4-3-13-11-14(23)7-10-21(13,17)12-22/h11,15-18,22H,3-10,12H2,1-2H3