1-[(3Z)-6-fluoranyl-3-hydroxyimino-13-methyl-17-(3-oxidanylprop-1-ynyl)-11-(4-pyrrolidin-1-ylphenyl)-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]-2-methoxy-ethanone

Systemtic Name: 1-[(3Z)-6-fluoranyl-3-hydroxyimino-13-methyl-17-(3-oxidanylprop-1-ynyl)-11-(4-pyrrolidin-1-ylphenyl)-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]-2-methoxy-ethanone Openeye Name: 1-[(3Z)-6-fluoro-3-hydroxyimino-17-(3-hydroxyprop-1-ynyl)-13-methyl-11-(4-pyrrolidin-1-ylphenyl)-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]-2-methoxy-ethanone CAS Name: 1-[(3Z)-6-fluoro-3-hydroxyimino-17-(3-hydroxyprop-1-ynyl)-13-methyl-11-[4-(1-pyrrolidinyl)phenyl]-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]-2-methoxyethanone IUPAC Name: 1-[(3Z)-6-fluoro-3-hydroxyimino-17-(3-hydroxyprop-1-ynyl)-13-methyl-11-(4-pyrrolidin-1-ylphenyl)-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]-2-methoxyethanone Traditional Name: 1-[(3Z)-6-fluoro-3-hydroximino-17-(3-hydroxyprop-1-ynyl)-13-methyl-11-(4-pyrrolidinophenyl)-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]-2-methoxy-ethanone Formula: C34H41FN2O4 MolecularWeight: 560.698743

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC12CC(C3=C4CCC(=NO)C=C4C(CC3C1CCC2(C#CCO)C(=O)COC)F)C5=CC=C(C=C5)N6CCCC6

Isomeric SMILES

CC12CC(C3=C4CC/C(=N/O)/C=C4C(CC3C1CCC2(C#CCO)C(=O)COC)F)C5=CC=C(C=C5)N6CCCC6

InChI

InChI=1S/C34H41FN2O4/c1-33-20-28(22-6-9-24(10-7-22)37-15-3-4-16-37)32-25-11-8-23(36-40)18-26(25)30(35)19-27(32)29(33)12-14-34(33,13-5-17-38)31(39)21-41-2/h6-7,9-10,18,27-30,38,40H,3-4,8,11-12,14-17,19-21H2,1-2H3/b36-23-