6,13-dimethyl-17-(3-oxidanylprop-1-ynyl)-11-(4-piperidin-1-ylphenyl)-17-propanoyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one

Systemtic Name: 6,13-dimethyl-17-(3-oxidanylprop-1-ynyl)-11-(4-piperidin-1-ylphenyl)-17-propanoyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one Openeye Name: 17-(3-hydroxyprop-1-ynyl)-6,13-dimethyl-11-[4-(1-piperidyl)phenyl]-17-propanoyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one CAS Name: 17-(3-hydroxyprop-1-ynyl)-6,13-dimethyl-17-(1-oxopropyl)-11-[4-(1-piperidinyl)phenyl]-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one IUPAC Name: 17-(3-hydroxyprop-1-ynyl)-6,13-dimethyl-11-(4-piperidin-1-ylphenyl)-17-propanoyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one Traditional Name: 17-(3-hydroxyprop-1-ynyl)-6,13-dimethyl-11-(4-piperidinophenyl)-17-propionyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one Formula: C36H45NO3 MolecularWeight: 539.7474

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1(CCC2C1(CC(C3=C4CCC(=O)C=C4C(CC23)C)C5=CC=C(C=C5)N6CCCCC6)C)C#CCO

Isomeric SMILES

CCC(=O)C1(CCC2C1(CC(C3=C4CCC(=O)C=C4C(CC23)C)C5=CC=C(C=C5)N6CCCCC6)C)C#CCO

InChI

InChI=1S/C36H45NO3/c1-4-33(40)36(16-8-20-38)17-15-32-30-21-24(2)29-22-27(39)13-14-28(29)34(30)31(23-35(32,36)3)25-9-11-26(12-10-25)37-18-6-5-7-19-37/h9-12,22,24,30-32,38H,4-7,13-15,17-21,23H2,1-3H3