(8S,11R,13S,14S,17S)-17-(2-methoxyethanoyl)-13-methyl-11-(4-morpholin-4-ylphenyl)-17-(3-oxidanylprop-1-ynyl)-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one

Systemtic Name: (8S,11R,13S,14S,17S)-17-(2-methoxyethanoyl)-13-methyl-11-(4-morpholin-4-ylphenyl)-17-(3-oxidanylprop-1-ynyl)-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one Openeye Name: (8S,11R,13S,14S,17S)-17-(3-hydroxyprop-1-ynyl)-17-(2-methoxyacetyl)-13-methyl-11-(4-morpholinophenyl)-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one CAS Name: (8S,11R,13S,14S,17S)-17-(3-hydroxyprop-1-ynyl)-17-(2-methoxy-1-oxoethyl)-13-methyl-11-[4-(4-morpholinyl)phenyl]-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one IUPAC Name: (8S,11R,13S,14S,17S)-17-(3-hydroxyprop-1-ynyl)-17-(2-methoxyacetyl)-13-methyl-11-(4-morpholin-4-ylphenyl)-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one Traditional Name: (8S,11R,13S,14S,17S)-17-(3-hydroxyprop-1-ynyl)-17-(2-methoxyacetyl)-13-methyl-11-(4-morpholinophenyl)-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one Formula: C34H41NO5 MolecularWeight: 543.69304

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC(C3=C4CCC(=O)C=C4CCC3C1CCC2(C#CCO)C(=O)COC)C5=CC=C(C=C5)N6CCOCC6

Isomeric SMILES

C[C@]12C[C@@H](C3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@]2(C#CCO)C(=O)COC)C5=CC=C(C=C5)N6CCOCC6

InChI

InChI=1S/C34H41NO5/c1-33-21-29(23-4-7-25(8-5-23)35-15-18-40-19-16-35)32-27-11-9-26(37)20-24(27)6-10-28(32)30(33)12-14-34(33,13-3-17-36)31(38)22-39-2/h4-5,7-8,20,28-30,36H,6,9-12,14-19,21-22H2,1-2H3/t28-,29+,30-,33-,34+/m0/s1