[2-[13-methyl-11-(4-morpholin-4-ylphenyl)-3-oxidanylidene-17-(3-oxidanylprop-1-ynyl)-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxidanylidene-ethyl] ethanoate

Systemtic Name: [2-[13-methyl-11-(4-morpholin-4-ylphenyl)-3-oxidanylidene-17-(3-oxidanylprop-1-ynyl)-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxidanylidene-ethyl] ethanoate Openeye Name: [2-[17-(3-hydroxyprop-1-ynyl)-13-methyl-11-(4-morpholinophenyl)-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] acetate CAS Name: acetic acid [2-[17-(3-hydroxyprop-1-ynyl)-13-methyl-11-[4-(4-morpholinyl)phenyl]-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] ester IUPAC Name: [2-[17-(3-hydroxyprop-1-ynyl)-13-methyl-11-(4-morpholin-4-ylphenyl)-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate Traditional Name: acetic acid [2-[17-(3-hydroxyprop-1-ynyl)-3-keto-13-methyl-11-(4-morpholinophenyl)-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]-2-keto-ethyl] ester Formula: C35H41NO6 MolecularWeight: 571.70314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H41NO6/c1-23(38)42-22-32(40)35(13-3-17-37)14-12-31-29-10-6-25-20-27(39)9-11-28(25)33(29)30(21-34(31,35)2)24-4-7-26(8-5-24)36-15-18-41-19-16-36/h4-5,7-8,20,29-31,37H,6,9-12,14-19,21-22H2,1-2H3