(11R,13S,17R)-11-(4-dimethylaminophenyl)-17-[(E)-2-(4-dimethylaminophenyl)ethenyl]-13-methyl-17-oxidanyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one

Systemtic Name: (11R,13S,17R)-11-(4-dimethylaminophenyl)-17-[(E)-2-(4-dimethylaminophenyl)ethenyl]-13-methyl-17-oxidanyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one Openeye Name: (11R,13S,17R)-11-(4-dimethylaminophenyl)-17-[(E)-2-(4-dimethylaminophenyl)vinyl]-17-hydroxy-13-methyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one CAS Name: (11R,13S,17R)-11-(4-dimethylaminophenyl)-17-[(E)-2-(4-dimethylaminophenyl)ethenyl]-17-hydroxy-13-methyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one IUPAC Name: (11R,13S,17R)-11-(4-dimethylaminophenyl)-17-[(E)-2-(4-dimethylaminophenyl)ethenyl]-17-hydroxy-13-methyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one Traditional Name: (11R,13S,17R)-11-(4-dimethylaminophenyl)-17-[(E)-2-(4-dimethylaminophenyl)vinyl]-17-hydroxy-13-methyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one Formula: C36H44N2O2 MolecularWeight: 536.74676

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC(C3=C4CCC(=O)C=C4CCC3C1CCC2(C=CC5=CC=C(C=C5)N(C)C)O)C6=CC=C(C=C6)N(C)C

Isomeric SMILES

C[C@]12C[C@@H](C3=C4CCC(=O)C=C4CCC3C1CC[C@]2(/C=C/C5=CC=C(C=C5)N(C)C)O)C6=CC=C(C=C6)N(C)C

InChI

InChI=1S/C36H44N2O2/c1-35-23-32(25-8-13-28(14-9-25)38(4)5)34-30-17-15-29(39)22-26(30)10-16-31(34)33(35)19-21-36(35,40)20-18-24-6-11-27(12-7-24)37(2)3/h6-9,11-14,18,20,22,31-33,40H,10,15-17,19,21,23H2,1-5H3/b20-18+/t31?,32-,33?,35+,36+/m1/s1