4-[(3aS,6R,6aS,10aR,11aS,11bR)-6-(2-methoxy-4-oxidanyl-phenyl)-1,3,7,10-tetrakis(oxidanylidene)-6a,9-diphenyl-4,6,10a,11,11a,11b-hexahydro-3aH-naphtho[2,3-e]isoindol-2-yl]butanoic acid

Systemtic Name: 4-[(3aS,6R,6aS,10aR,11aS,11bR)-6-(2-methoxy-4-oxidanyl-phenyl)-1,3,7,10-tetrakis(oxidanylidene)-6a,9-diphenyl-4,6,10a,11,11a,11b-hexahydro-3aH-naphtho[2,3-e]isoindol-2-yl]butanoic acid Openeye Name: 4-[(3aS,6R,6aS,10aR,11aS,11bR)-6-(4-hydroxy-2-methoxy-phenyl)-1,3,7,10-tetraoxo-6a,9-diphenyl-4,6,10a,11,11a,11b-hexahydro-3aH-naphtho[2,3-e]isoindol-2-yl]butanoic acid CAS Name: 4-[(3aS,6R,6aS,10aR,11aS,11bR)-6-(4-hydroxy-2-methoxyphenyl)-1,3,7,10-tetraoxo-6a,9-diphenyl-4,6,10a,11,11a,11b-hexahydro-3aH-naphtho[2,3-e]isoindol-2-yl]butanoic acid IUPAC Name: 4-[(3aS,6R,6aS,10aR,11aS,11bR)-6-(4-hydroxy-2-methoxyphenyl)-1,3,7,10-tetraoxo-6a,9-diphenyl-4,6,10a,11,11a,11b-hexahydro-3aH-naphtho[2,3-e]isoindol-2-yl]butanoic acid Traditional Name: 4-[(3aS,6R,6aS,10aR,11aS,11bR)-6-(4-hydroxy-2-methoxy-phenyl)-1,3,7,10-tetraketo-6a,9-diphenyl-4,6,10a,11,11a,11b-hexahydro-3aH-naphth[2,3-e]isoindol-2-yl]butyric acid Formula: C39H35NO8 MolecularWeight: 645.6971

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)O)C2C3=CCC4C(C3CC5C2(C(=O)C=C(C5=O)C6=CC=CC=C6)C7=CC=CC=C7)C(=O)N(C4=O)CCCC(=O)O

Isomeric SMILES

COC1=C(C=CC(=C1)O)[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)CCCC(=O)O

InChI

InChI=1S/C39H35NO8/c1-48-31-19-24(41)14-15-26(31)35-25-16-17-27-34(38(47)40(37(27)46)18-8-13-33(43)44)29(25)20-30-36(45)28(22-9-4-2-5-10-22)21-32(42)39(30,35)23-11-6-3-7-12-23/h2-7,9-12,14-16,19,21,27,29-30,34-35,41H,8,13,17-18,20H2,1H3,(H,43,44)/t27-,29+,30-,34-,35+,39-/m0/s1