5-(4-dimethylaminophenyl)-6a-methyl-7-oxidanyl-7-prop-1-ynyl-4,5,6,10,10a,10b,11,12-octahydro-3H-chrysen-2-one

Systemtic Name: 5-(4-dimethylaminophenyl)-6a-methyl-7-oxidanyl-7-prop-1-ynyl-4,5,6,10,10a,10b,11,12-octahydro-3H-chrysen-2-one Openeye Name: 5-(4-dimethylaminophenyl)-7-hydroxy-6a-methyl-7-prop-1-ynyl-4,5,6,10,10a,10b,11,12-octahydro-3H-chrysen-2-one CAS Name: 5-(4-dimethylaminophenyl)-7-hydroxy-6a-methyl-7-prop-1-ynyl-4,5,6,10,10a,10b,11,12-octahydro-3H-chrysen-2-one IUPAC Name: 5-(4-dimethylaminophenyl)-7-hydroxy-6a-methyl-7-prop-1-ynyl-4,5,6,10,10a,10b,11,12-octahydro-3H-chrysen-2-one Traditional Name: 5-(4-dimethylaminophenyl)-7-hydroxy-6a-methyl-7-prop-1-ynyl-4,5,6,10,10a,10b,11,12-octahydro-3H-chrysen-2-one Formula: C30H35NO2 MolecularWeight: 441.6044

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H35NO2/c1-5-16-30(33)17-6-7-27-25-14-10-21-18-23(32)13-15-24(21)28(25)26(19-29(27,30)2)20-8-11-22(12-9-20)31(3)4/h6,8-9,11-12,17-18,25-27,33H,7,10,13-15,19H2,1-4H3