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

Systemtic Name: (8R,11S,13S,14S,17S)-11-(4-dimethylaminophenyl)-13-methyl-17-oxidanyl-17-(3-oxidanylprop-1-ynyl)-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one Openeye Name: (8R,11S,13S,14S,17S)-11-(4-dimethylaminophenyl)-17-hydroxy-17-(3-hydroxyprop-1-ynyl)-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one CAS Name: (8R,11S,13S,14S,17S)-11-(4-dimethylaminophenyl)-17-hydroxy-17-(3-hydroxyprop-1-ynyl)-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one IUPAC Name: (8R,11S,13S,14S,17S)-11-(4-dimethylaminophenyl)-17-hydroxy-17-(3-hydroxyprop-1-ynyl)-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one Traditional Name: (8R,11S,13S,14S,17S)-11-(4-dimethylaminophenyl)-17-hydroxy-17-(3-hydroxyprop-1-ynyl)-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one Formula: C29H37NO3 MolecularWeight: 447.60898

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC(C3C(C1CCC2(C#CCO)O)CCC4=CC(=O)CCC34)C5=CC=C(C=C5)N(C)C

Isomeric SMILES

C[C@]12C[C@@H](C3[C@H]([C@@H]1CC[C@]2(C#CCO)O)CCC4=CC(=O)CCC34)C5=CC=C(C=C5)N(C)C

InChI

InChI=1S/C29H37NO3/c1-28-18-25(19-5-8-21(9-6-19)30(2)3)27-23-12-10-22(32)17-20(23)7-11-24(27)26(28)13-15-29(28,33)14-4-16-31/h5-6,8-9,17,23-27,31,33H,7,10-13,15-16,18H2,1-3H3/t23?,24-,25+,26-,27?,28-,29-/m0/s1