methyl 2-(10,13-dimethyl-1-oxidanyl-3-oxidanylidene-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)ethanoate

Systemtic Name: methyl 2-(10,13-dimethyl-1-oxidanyl-3-oxidanylidene-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)ethanoate Openeye Name: methyl 2-(1-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)acetate CAS Name: 2-(1-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)acetic acid methyl ester IUPAC Name: methyl 2-(1-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)acetate Traditional Name: 2-(1-hydroxy-3-keto-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)acetic acid methyl ester Formula: C22H32O4 MolecularWeight: 360.48708

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3C(C1CCC2CC(=O)OC)CCC4=CC(=O)CC(C34C)O

Isomeric SMILES

CC12CCC3C(C1CCC2CC(=O)OC)CCC4=CC(=O)CC(C34C)O

InChI

InChI=1S/C22H32O4/c1-21-9-8-18-16(17(21)7-5-13(21)11-20(25)26-3)6-4-14-10-15(23)12-19(24)22(14,18)2/h10,13,16-19,24H,4-9,11-12H2,1-3H3