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

Systemtic Name: (13R,17R)-13-[(4-dimethylaminophenyl)methyl]-17-oxidanyl-17-prop-2-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one Openeye Name: (13R,17R)-13-[(4-dimethylaminophenyl)methyl]-17-hydroxy-17-prop-2-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one CAS Name: (13R,17R)-13-[(4-dimethylaminophenyl)methyl]-17-hydroxy-17-prop-2-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one IUPAC Name: (13R,17R)-13-[(4-dimethylaminophenyl)methyl]-17-hydroxy-17-prop-2-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one Traditional Name: (13R,17R)-13-[4-(dimethylamino)benzyl]-17-hydroxy-17-propargyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one Formula: C29H35NO2 MolecularWeight: 429.5937

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)CC23CCC4=C5CCC(=O)C=C5CCC4C2CCC3(CC#C)O

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C[C@]23CCC4=C5CCC(=O)C=C5CCC4C2CC[C@]3(CC#C)O

InChI

InChI=1S/C29H35NO2/c1-4-15-29(32)17-14-27-26-11-7-21-18-23(31)10-12-24(21)25(26)13-16-28(27,29)19-20-5-8-22(9-6-20)30(2)3/h1,5-6,8-9,18,26-27,32H,7,10-17,19H2,2-3H3/t26?,27?,28-,29+/m1/s1