(3aS,6R,6aS,10aR,11aS,11bR)-6-(3-methyl-4-oxidanyl-phenyl)-6a,9-diphenyl-2-(phenylmethyl)-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-methyl-4-oxidanyl-phenyl)-6a,9-diphenyl-2-(phenylmethyl)-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-benzyl-6-(4-hydroxy-3-methyl-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)-6-(4-hydroxy-3-methylphenyl)-6a,9-diphenyl-2-(phenylmethyl)-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-benzyl-6-(4-hydroxy-3-methylphenyl)-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-benzyl-6-(4-hydroxy-3-methyl-phenyl)-6a,9-diphenyl-4,6,10a,11,11a,11b-hexahydro-3aH-naphth[6,7-e]isoindole-1,3,7,10-diquinone Formula: C42H35NO5 MolecularWeight: 633.731

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2C3=CCC4C(C3CC5C2(C(=O)C=C(C5=O)C6=CC=CC=C6)C7=CC=CC=C7)C(=O)N(C4=O)CC8=CC=CC=C8)O

Isomeric SMILES

CC1=C(C=CC(=C1)[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)CC8=CC=CC=C8)O

InChI

InChI=1S/C42H35NO5/c1-25-21-28(17-20-35(25)44)38-30-18-19-31-37(41(48)43(40(31)47)24-26-11-5-2-6-12-26)33(30)22-34-39(46)32(27-13-7-3-8-14-27)23-36(45)42(34,38)29-15-9-4-10-16-29/h2-18,20-21,23,31,33-34,37-38,44H,19,22,24H2,1H3/t31-,33+,34-,37-,38-,42-/m0/s1