(8S,11R,13S,14S,17S)-17-ethanoyl-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-ethanoyl-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-acetyl-17-(3-hydroxyprop-1-ynyl)-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-acetyl-17-(3-hydroxyprop-1-ynyl)-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-acetyl-17-(3-hydroxyprop-1-ynyl)-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-acetyl-17-(3-hydroxyprop-1-ynyl)-13-methyl-11-(4-morpholinophenyl)-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one Formula: C33H39NO4 MolecularWeight: 513.66706

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1(CCC2C1(CC(C3=C4CCC(=O)C=C4CCC23)C5=CC=C(C=C5)N6CCOCC6)C)C#CCO

Isomeric SMILES

CC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H](C3=C4CCC(=O)C=C4CC[C@@H]23)C5=CC=C(C=C5)N6CCOCC6)C)C#CCO

InChI

InChI=1S/C33H39NO4/c1-22(36)33(13-3-17-35)14-12-30-28-10-6-24-20-26(37)9-11-27(24)31(28)29(21-32(30,33)2)23-4-7-25(8-5-23)34-15-18-38-19-16-34/h4-5,7-8,20,28-30,35H,6,9-12,14-19,21H2,1-2H3/t28-,29+,30-,32-,33+/m0/s1