(3aS,6S,6aS,10aR,11aS,11bR)-2-[4-[2-(2,5-dimethoxyphenyl)ethenyl]phenyl]-6-(4-hydroxyphenyl)-6a,9-diphenyl-4,6,10a,11,11a,11b-hexahydro-3aH-naphtho[6,7-e]isoindole-1,3,7,10-tetrone

Systemtic Name: (3aS,6S,6aS,10aR,11aS,11bR)-2-[4-[2-(2,5-dimethoxyphenyl)ethenyl]phenyl]-6-(4-hydroxyphenyl)-6a,9-diphenyl-4,6,10a,11,11a,11b-hexahydro-3aH-naphtho[6,7-e]isoindole-1,3,7,10-tetrone Openeye Name: (3aS,6S,6aS,10aR,11aS,11bR)-2-[4-[2-(2,5-dimethoxyphenyl)vinyl]phenyl]-6-(4-hydroxyphenyl)-6a,9-diphenyl-4,6,10a,11,11a,11b-hexahydro-3aH-naphtho[6,7-e]isoindole-1,3,7,10-tetrone CAS Name: (3aS,6S,6aS,10aR,11aS,11bR)-2-[4-[2-(2,5-dimethoxyphenyl)ethenyl]phenyl]-6-(4-hydroxyphenyl)-6a,9-diphenyl-4,6,10a,11,11a,11b-hexahydro-3aH-naphtho[6,7-e]isoindole-1,3,7,10-tetrone IUPAC Name: (3aS,6S,6aS,10aR,11aS,11bR)-2-[4-[2-(2,5-dimethoxyphenyl)ethenyl]phenyl]-6-(4-hydroxyphenyl)-6a,9-diphenyl-4,6,10a,11,11a,11b-hexahydro-3aH-naphtho[6,7-e]isoindole-1,3,7,10-tetrone Traditional Name: (3aS,6S,6aS,10aR,11aS,11bR)-2-[4-[2-(2,5-dimethoxyphenyl)vinyl]phenyl]-6-(4-hydroxyphenyl)-6a,9-diphenyl-4,6,10a,11,11a,11b-hexahydro-3aH-naphth[6,7-e]isoindole-1,3,7,10-diquinone Formula: C50H41NO7 MolecularWeight: 767.86304

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C=CC2=CC=C(C=C2)N3C(=O)C4CC=C5C(C4C3=O)CC6C(=O)C(=CC(=O)C6(C5C7=CC=C(C=C7)O)C8=CC=CC=C8)C9=CC=CC=C9

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C=CC2=CC=C(C=C2)N3C(=O)[C@H]4CC=C5[C@H]([C@H]4C3=O)C[C@H]6C(=O)C(=CC(=O)[C@]6([C@H]5C7=CC=C(C=C7)O)C8=CC=CC=C8)C9=CC=CC=C9

InChI

InChI=1S/C50H41NO7/c1-57-37-23-26-43(58-2)33(27-37)16-13-30-14-19-35(20-15-30)51-48(55)39-25-24-38-41(45(39)49(51)56)28-42-47(54)40(31-9-5-3-6-10-31)29-44(53)50(42,34-11-7-4-8-12-34)46(38)32-17-21-36(52)22-18-32/h3-24,26-27,29,39,41-42,45-46,52H,25,28H2,1-2H3/t39-,41+,42-,45-,46-,50-/m0/s1