methyl (3aS,9bR)-5-acetyloxy-1-[2-(3,4-dimethoxyphenyl)ethyl]-9b-oxidanyl-2-oxidanylidene-3H-benzo[g]indole-3a-carboxylate

Systemtic Name: methyl (3aS,9bR)-5-acetyloxy-1-[2-(3,4-dimethoxyphenyl)ethyl]-9b-oxidanyl-2-oxidanylidene-3H-benzo[g]indole-3a-carboxylate Openeye Name: methyl (3aS,9bR)-5-acetoxy-1-[2-(3,4-dimethoxyphenyl)ethyl]-9b-hydroxy-2-oxo-3H-benzo[g]indole-3a-carboxylate CAS Name: (3aS,9bR)-5-acetyloxy-1-[2-(3,4-dimethoxyphenyl)ethyl]-9b-hydroxy-2-oxo-3H-benzo[g]indole-3a-carboxylic acid methyl ester IUPAC Name: methyl (3aS,9bR)-5-acetyloxy-1-[2-(3,4-dimethoxyphenyl)ethyl]-9b-hydroxy-2-oxo-3H-benzo[g]indole-3a-carboxylate Traditional Name: (3aS,9bR)-5-acetoxy-1-homoveratryl-9b-hydroxy-2-keto-3H-benz[g]indole-3a-carboxylic acid methyl ester Formula: C26H27NO8 MolecularWeight: 481.49448

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC2(CC(=O)N(C2(C3=CC=CC=C31)O)CCC4=CC(=C(C=C4)OC)OC)C(=O)OC

Isomeric SMILES

CC(=O)OC1=C[C@]2(CC(=O)N([C@]2(C3=CC=CC=C31)O)CCC4=CC(=C(C=C4)OC)OC)C(=O)OC

InChI

InChI=1S/C26H27NO8/c1-16(28)35-22-14-25(24(30)34-4)15-23(29)27(26(25,31)19-8-6-5-7-18(19)22)12-11-17-9-10-20(32-2)21(13-17)33-3/h5-10,13-14,31H,11-12,15H2,1-4H3/t25-,26+/m0/s1