13-methyl-17-oxidanyl-17-[(E)-3-oxidanylprop-1-enyl]-11-(4-pyridin-3-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-pyridin-3-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-(3-pyridyl)phenyl]-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-(3-pyridinyl)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-pyridin-3-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-(3-pyridyl)phenyl]-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one Formula: C32H37NO3 MolecularWeight: 483.64108

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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=CC=C6

Isomeric SMILES

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

InChI

InChI=1S/C32H37NO3/c1-31-19-28(22-7-5-21(6-8-22)24-4-2-16-33-20-24)30-26-12-10-25(35)18-23(26)9-11-27(30)29(31)13-15-32(31,36)14-3-17-34/h2-8,14,16,18,20,26-30,34,36H,9-13,15,17,19H2,1H3/b14-3+