13-methyl-17-oxidanyl-17-[(E)-3-oxidanylprop-1-enyl]-11-(4-pyrimidin-5-ylphenyl)-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one

Systemtic Name: 13-methyl-17-oxidanyl-17-[(E)-3-oxidanylprop-1-enyl]-11-(4-pyrimidin-5-ylphenyl)-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one Openeye Name: 17-hydroxy-17-[(E)-3-hydroxyprop-1-enyl]-13-methyl-11-(4-pyrimidin-5-ylphenyl)-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one CAS Name: 17-hydroxy-17-[(E)-3-hydroxyprop-1-enyl]-13-methyl-11-[4-(5-pyrimidinyl)phenyl]-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one IUPAC Name: 17-hydroxy-17-[(E)-3-hydroxyprop-1-enyl]-13-methyl-11-(4-pyrimidin-5-ylphenyl)-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one Traditional Name: 17-hydroxy-17-[(E)-3-hydroxyprop-1-enyl]-13-methyl-11-[4-(5-pyrimidyl)phenyl]-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one Formula: C31H36N2O3 MolecularWeight: 484.62914

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC(C3C(C1CCC2(C=CCO)O)CCC4=CC(=O)CCC34)C5=CC=C(C=C5)C6=CN=CN=C6

Isomeric SMILES

CC12CC(C3C(C1CCC2(/C=C/CO)O)CCC4=CC(=O)CCC34)C5=CC=C(C=C5)C6=CN=CN=C6

InChI

InChI=1S/C31H36N2O3/c1-30-16-27(21-5-3-20(4-6-21)23-17-32-19-33-18-23)29-25-10-8-24(35)15-22(25)7-9-26(29)28(30)11-13-31(30,36)12-2-14-34/h2-6,12,15,17-19,25-29,34,36H,7-11,13-14,16H2,1H3/b12-2+