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

Systemtic Name: 17-(2-methoxyethanoyl)-13-methyl-11-(4-methylsulfinylphenyl)-17-prop-1-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one Openeye Name: 17-(2-methoxyacetyl)-13-methyl-11-(4-methylsulfinylphenyl)-17-prop-1-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one CAS Name: 17-(2-methoxy-1-oxoethyl)-13-methyl-11-(4-methylsulfinylphenyl)-17-prop-1-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one IUPAC Name: 17-(2-methoxyacetyl)-13-methyl-11-(4-methylsulfinylphenyl)-17-prop-1-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one Traditional Name: 17-(2-methoxyacetyl)-13-methyl-11-(4-methylsulfinylphenyl)-17-prop-1-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one Formula: C31H36O4S MolecularWeight: 504.68014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H36O4S/c1-5-15-31(28(33)19-35-3)16-14-27-25-12-8-21-17-22(32)9-13-24(21)29(25)26(18-30(27,31)2)20-6-10-23(11-7-20)36(4)34/h6-7,10-11,17,25-27H,8-9,12-14,16,18-19H2,1-4H3