6-[(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]hexanoic acid

Systemtic Name: 6-[(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]hexanoic acid Openeye Name: 6-[(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]hexanoic acid CAS Name: 6-[(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]hexanoic acid IUPAC Name: 6-[(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]hexanoic acid Traditional Name: 6-[(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]hexanoic acid Formula: C41H39NO8 MolecularWeight: 673.75026

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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)CCCCCC(=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)CCCCCC(=O)O

InChI

InChI=1S/C41H39NO8/c1-50-33-21-26(43)16-17-28(33)37-27-18-19-29-36(40(49)42(39(29)48)20-10-4-9-15-35(45)46)31(27)22-32-38(47)30(24-11-5-2-6-12-24)23-34(44)41(32,37)25-13-7-3-8-14-25/h2-3,5-8,11-14,16-18,21,23,29,31-32,36-37,43H,4,9-10,15,19-20,22H2,1H3,(H,45,46)/t29-,31+,32-,36-,37+,41-/m0/s1