6-[(3aS,6R,6aS,10aR,11aS,11bR)-6-(3-methyl-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-(3-methyl-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-3-methyl-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-3-methylphenyl)-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-3-methylphenyl)-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-3-methyl-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: C41H39NO7 MolecularWeight: 657.75086

Click to see the large picture

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)CCCCCC(=O)O)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)CCCCCC(=O)O)O

InChI

InChI=1S/C41H39NO7/c1-24-21-26(16-19-33(24)43)37-28-17-18-29-36(40(49)42(39(29)48)20-10-4-9-15-35(45)46)31(28)22-32-38(47)30(25-11-5-2-6-12-25)23-34(44)41(32,37)27-13-7-3-8-14-27/h2-3,5-8,11-14,16-17,19,21,23,29,31-32,36-37,43H,4,9-10,15,18,20,22H2,1H3,(H,45,46)/t29-,31+,32-,36-,37-,41-/m0/s1