2-(4-dimethylaminophenyl)-17-(methoxymethyl)-13-methyl-17-oxidanyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one

Systemtic Name: 2-(4-dimethylaminophenyl)-17-(methoxymethyl)-13-methyl-17-oxidanyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one Openeye Name: 2-(4-dimethylaminophenyl)-17-hydroxy-17-(methoxymethyl)-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one CAS Name: 2-(4-dimethylaminophenyl)-17-hydroxy-17-(methoxymethyl)-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one IUPAC Name: 2-(4-dimethylaminophenyl)-17-hydroxy-17-(methoxymethyl)-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one Traditional Name: 2-(4-dimethylaminophenyl)-17-hydroxy-17-(methoxymethyl)-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one Formula: C28H39NO3 MolecularWeight: 437.61416

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3C(C1CCC2(COC)O)CCC4=CC(=O)C(CC34)C5=CC=C(C=C5)N(C)C

Isomeric SMILES

CC12CCC3C(C1CCC2(COC)O)CCC4=CC(=O)C(CC34)C5=CC=C(C=C5)N(C)C

InChI

InChI=1S/C28H39NO3/c1-27-13-11-21-22(25(27)12-14-28(27,31)17-32-4)10-7-19-15-26(30)24(16-23(19)21)18-5-8-20(9-6-18)29(2)3/h5-6,8-9,15,21-25,31H,7,10-14,16-17H2,1-4H3