4-[(3aS,6R,6aS,10aR,11aS,11bR)-6-(3,5-dimethyl-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-(3,5-dimethyl-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-3,5-dimethyl-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-3,5-dimethylphenyl)-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-3,5-dimethylphenyl)-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-3,5-dimethyl-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: C40H37NO7 MolecularWeight: 643.72428

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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)CCCC(=O)O

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)CCCC(=O)O

InChI

InChI=1S/C40H37NO7/c1-22-18-25(19-23(2)36(22)45)35-27-15-16-28-34(39(48)41(38(28)47)17-9-14-33(43)44)30(27)20-31-37(46)29(24-10-5-3-6-11-24)21-32(42)40(31,35)26-12-7-4-8-13-26/h3-8,10-13,15,18-19,21,28,30-31,34-35,45H,9,14,16-17,20H2,1-2H3,(H,43,44)/t28-,30+,31-,34-,35-,40-/m0/s1