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

Systemtic Name: (11R,13S,14S,17S)-11-(4-dimethylaminophenyl)-17-(2-dimethylphosphorylethynyl)-13-methyl-17-oxidanyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one Openeye Name: (11R,13S,14S,17S)-11-(4-dimethylaminophenyl)-17-(2-dimethylphosphorylethynyl)-17-hydroxy-13-methyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one CAS Name: (11R,13S,14S,17S)-11-(4-dimethylaminophenyl)-17-(2-dimethylphosphorylethynyl)-17-hydroxy-13-methyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one IUPAC Name: (11R,13S,14S,17S)-11-(4-dimethylaminophenyl)-17-(2-dimethylphosphorylethynyl)-17-hydroxy-13-methyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one Traditional Name: (11R,13S,14S,17S)-11-(4-dimethylaminophenyl)-17-(2-dimethylphosphorylethynyl)-17-hydroxy-13-methyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one Formula: C30H38NO3P MolecularWeight: 491.601381

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC(C3=C4CCC(=O)C=C4CCC3C1CCC2(C#CP(=O)(C)C)O)C5=CC=C(C=C5)N(C)C

Isomeric SMILES

C[C@]12C[C@@H](C3=C4CCC(=O)C=C4CCC3[C@@H]1CC[C@]2(C#CP(=O)(C)C)O)C5=CC=C(C=C5)N(C)C

InChI

InChI=1S/C30H38NO3P/c1-29-19-26(20-6-9-22(10-7-20)31(2)3)28-24-13-11-23(32)18-21(24)8-12-25(28)27(29)14-15-30(29,33)16-17-35(4,5)34/h6-7,9-10,18,25-27,33H,8,11-15,19H2,1-5H3/t25?,26-,27+,29+,30-/m1/s1