(3aS,6R,6aS,10aR,11aS,11bR)-6-(3,5-dimethyl-4-oxidanyl-phenyl)-6a,9-diphenyl-2-[4-(phenylcarbonyl)phenyl]-4,6,10a,11,11a,11b-hexahydro-3aH-naphtho[6,7-e]isoindole-1,3,7,10-tetrone

Systemtic Name: (3aS,6R,6aS,10aR,11aS,11bR)-6-(3,5-dimethyl-4-oxidanyl-phenyl)-6a,9-diphenyl-2-[4-(phenylcarbonyl)phenyl]-4,6,10a,11,11a,11b-hexahydro-3aH-naphtho[6,7-e]isoindole-1,3,7,10-tetrone Openeye Name: (3aS,6R,6aS,10aR,11aS,11bR)-2-(4-benzoylphenyl)-6-(4-hydroxy-3,5-dimethyl-phenyl)-6a,9-diphenyl-4,6,10a,11,11a,11b-hexahydro-3aH-naphtho[6,7-e]isoindole-1,3,7,10-tetrone CAS Name: (3aS,6R,6aS,10aR,11aS,11bR)-2-(4-benzoylphenyl)-6-(4-hydroxy-3,5-dimethylphenyl)-6a,9-diphenyl-4,6,10a,11,11a,11b-hexahydro-3aH-naphtho[6,7-e]isoindole-1,3,7,10-tetrone IUPAC Name: (3aS,6R,6aS,10aR,11aS,11bR)-2-(4-benzoylphenyl)-6-(4-hydroxy-3,5-dimethylphenyl)-6a,9-diphenyl-4,6,10a,11,11a,11b-hexahydro-3aH-naphtho[6,7-e]isoindole-1,3,7,10-tetrone Traditional Name: (3aS,6R,6aS,10aR,11aS,11bR)-2-(4-benzoylphenyl)-6-(4-hydroxy-3,5-dimethyl-phenyl)-6a,9-diphenyl-4,6,10a,11,11a,11b-hexahydro-3aH-naphth[6,7-e]isoindole-1,3,7,10-diquinone Formula: C49H39NO6 MolecularWeight: 737.83706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1O)C)C2C3=CCC4C(C3CC5C2(C(=O)C=C(C5=O)C6=CC=CC=C6)C7=CC=CC=C7)C(=O)N(C4=O)C8=CC=C(C=C8)C(=O)C9=CC=CC=C9

Isomeric SMILES

CC1=CC(=CC(=C1O)C)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@H]5[C@]2(C(=O)C=C(C5=O)C6=CC=CC=C6)C7=CC=CC=C7)C(=O)N(C4=O)C8=CC=C(C=C8)C(=O)C9=CC=CC=C9

InChI

InChI=1S/C49H39NO6/c1-28-24-33(25-29(2)44(28)52)43-36-22-23-37-42(48(56)50(47(37)55)35-20-18-32(19-21-35)45(53)31-14-8-4-9-15-31)39(36)26-40-46(54)38(30-12-6-3-7-13-30)27-41(51)49(40,43)34-16-10-5-11-17-34/h3-22,24-25,27,37,39-40,42-43,52H,23,26H2,1-2H3/t37-,39+,40-,42-,43-,49-/m0/s1