2-[4-(4-ethanoylphenyl)phenyl]-13-methyl-17-oxidanyl-17-[(E)-3-oxidanylprop-1-enyl]-1,2,8,9,10,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one

Systemtic Name: 2-[4-(4-ethanoylphenyl)phenyl]-13-methyl-17-oxidanyl-17-[(E)-3-oxidanylprop-1-enyl]-1,2,8,9,10,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one Openeye Name: 2-[4-(4-acetylphenyl)phenyl]-17-hydroxy-17-[(E)-3-hydroxyprop-1-enyl]-13-methyl-1,2,8,9,10,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one CAS Name: 2-[4-(4-acetylphenyl)phenyl]-17-hydroxy-17-[(E)-3-hydroxyprop-1-enyl]-13-methyl-1,2,8,9,10,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one IUPAC Name: 2-[4-(4-acetylphenyl)phenyl]-17-hydroxy-17-[(E)-3-hydroxyprop-1-enyl]-13-methyl-1,2,8,9,10,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one Traditional Name: 2-[4-(4-acetylphenyl)phenyl]-17-hydroxy-17-[(E)-3-hydroxyprop-1-enyl]-13-methyl-1,2,8,9,10,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one Formula: C35H38O4 MolecularWeight: 522.67382

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)C3CC4C5CCC6(C(C5C=CC4=CC3=O)CCC6(C=CCO)O)C

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)C3CC4C5CCC6(C(C5C=CC4=CC3=O)CCC6(/C=C/CO)O)C

InChI

InChI=1S/C35H38O4/c1-22(37)23-4-6-24(7-5-23)25-8-10-26(11-9-25)31-21-30-27(20-33(31)38)12-13-29-28(30)14-17-34(2)32(29)15-18-35(34,39)16-3-19-36/h3-13,16,20,28-32,36,39H,14-15,17-19,21H2,1-2H3/b16-3+