13-methyl-11-(3-methyl-4-prop-2-enoxy-phenyl)-17-oxidanyl-17-prop-1-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one

Systemtic Name: 13-methyl-11-(3-methyl-4-prop-2-enoxy-phenyl)-17-oxidanyl-17-prop-1-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one Openeye Name: 11-(4-allyloxy-3-methyl-phenyl)-17-hydroxy-13-methyl-17-prop-1-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one CAS Name: 17-hydroxy-13-methyl-11-(3-methyl-4-prop-2-enoxyphenyl)-17-prop-1-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one IUPAC Name: 17-hydroxy-13-methyl-11-(3-methyl-4-prop-2-enoxyphenyl)-17-prop-1-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one Traditional Name: 11-(4-allyloxy-3-methyl-phenyl)-17-hydroxy-13-methyl-17-prop-1-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one Formula: C31H36O3 MolecularWeight: 456.61574

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC1(CCC2C1(CC(C3=C4CCC(=O)C=C4CCC23)C5=CC(=C(C=C5)OCC=C)C)C)O

Isomeric SMILES

CC#CC1(CCC2C1(CC(C3=C4CCC(=O)C=C4CCC23)C5=CC(=C(C=C5)OCC=C)C)C)O

InChI

InChI=1S/C31H36O3/c1-5-14-31(33)15-13-27-25-10-7-22-18-23(32)9-11-24(22)29(25)26(19-30(27,31)4)21-8-12-28(20(3)17-21)34-16-6-2/h6,8,12,17-18,25-27,33H,2,7,9-11,13,15-16,19H2,1,3-4H3