(3aS,6R,6aS,10aR,11aS,11bR)-2-[4-[2-(2,5-dimethoxyphenyl)ethenyl]phenyl]-6-(3-methyl-4-oxidanyl-phenyl)-6a,9-diphenyl-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)-2-[4-[2-(2,5-dimethoxyphenyl)ethenyl]phenyl]-6-(3-methyl-4-oxidanyl-phenyl)-6a,9-diphenyl-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-[2-(2,5-dimethoxyphenyl)vinyl]phenyl]-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)-2-[4-[2-(2,5-dimethoxyphenyl)ethenyl]phenyl]-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 IUPAC Name: (3aS,6R,6aS,10aR,11aS,11bR)-2-[4-[2-(2,5-dimethoxyphenyl)ethenyl]phenyl]-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-[4-[2-(2,5-dimethoxyphenyl)vinyl]phenyl]-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: C51H43NO7 MolecularWeight: 781.88962

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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)C8=CC=C(C=C8)C=CC9=C(C=CC(=C9)OC)OC)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)C8=CC=C(C=C8)C=CC9=C(C=CC(=C9)OC)OC)O

InChI

InChI=1S/C51H43NO7/c1-30-26-34(18-24-43(30)53)47-38-22-23-39-46(50(57)52(49(39)56)36-19-15-31(16-20-36)14-17-33-27-37(58-2)21-25-44(33)59-3)41(38)28-42-48(55)40(32-10-6-4-7-11-32)29-45(54)51(42,47)35-12-8-5-9-13-35/h4-22,24-27,29,39,41-42,46-47,53H,23,28H2,1-3H3/t39-,41+,42-,46-,47-,51-/m0/s1