(3R,5S,8R,9S,10S,13S,14S)-10,13-dimethyl-3-oxidanyl-3-[(3-phenylpropylamino)methyl]-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-one

Systemtic Name: (3R,5S,8R,9S,10S,13S,14S)-10,13-dimethyl-3-oxidanyl-3-[(3-phenylpropylamino)methyl]-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-one Openeye Name: (3R,5S,8R,9S,10S,13S,14S)-3-hydroxy-10,13-dimethyl-3-[(3-phenylpropylamino)methyl]-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-one CAS Name: (3R,5S,8R,9S,10S,13S,14S)-3-hydroxy-10,13-dimethyl-3-[(3-phenylpropylamino)methyl]-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-one IUPAC Name: (3R,5S,8R,9S,10S,13S,14S)-3-hydroxy-10,13-dimethyl-3-[(3-phenylpropylamino)methyl]-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-one Traditional Name: (3R,5S,8R,9S,10S,13S,14S)-3-hydroxy-10,13-dimethyl-3-[(3-phenylpropylamino)methyl]-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-one Formula: C29H43NO2 MolecularWeight: 437.65722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC12CCC(CC1CCC3C2CCC4(C3CCC4=O)C)(CNCCCC5=CC=CC=C5)O

Isomeric SMILES

C[C@]12CC[C@@](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)(CNCCCC5=CC=CC=C5)O

InChI

InChI=1S/C29H43NO2/c1-27-16-17-29(32,20-30-18-6-9-21-7-4-3-5-8-21)19-22(27)10-11-23-24-12-13-26(31)28(24,2)15-14-25(23)27/h3-5,7-8,22-25,30,32H,6,9-20H2,1-2H3/t22-,23-,24-,25-,27-,28-,29+/m0/s1