(5S,5aS,8aR,9R)-9-(3,5-dimethoxy-4-oxidanyl-phenyl)-5-[(3,4-dimethoxyphenyl)amino]-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one

Systemtic Name: (5S,5aS,8aR,9R)-9-(3,5-dimethoxy-4-oxidanyl-phenyl)-5-[(3,4-dimethoxyphenyl)amino]-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one Openeye Name: (5S,5aS,8aR,9R)-5-(3,4-dimethoxyanilino)-9-(4-hydroxy-3,5-dimethoxy-phenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[5,6-f][1,3]benzodioxol-8-one CAS Name: (5S,5aS,8aR,9R)-5-(3,4-dimethoxyanilino)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[5,6-f][1,3]benzodioxol-8-one IUPAC Name: (5S,5aS,8aR,9R)-5-(3,4-dimethoxyanilino)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one Traditional Name: (5S,5aS,8aR,9R)-5-(3,4-dimethoxyanilino)-9-(4-hydroxy-3,5-dimethoxy-phenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[5,6-f][1,3]benzodioxol-8-one Formula: C29H29NO9 MolecularWeight: 535.54186

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC2C3COC(=O)C3C(C4=CC5=C(C=C24)OCO5)C6=CC(=C(C(=C6)OC)O)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)N[C@H]2[C@H]3COC(=O)[C@@H]3[C@@H](C4=CC5=C(C=C24)OCO5)C6=CC(=C(C(=C6)OC)O)OC)OC

InChI

InChI=1S/C29H29NO9/c1-33-19-6-5-15(9-20(19)34-2)30-27-17-11-22-21(38-13-39-22)10-16(17)25(26-18(27)12-37-29(26)32)14-7-23(35-3)28(31)24(8-14)36-4/h5-11,18,25-27,30-31H,12-13H2,1-4H3/t18-,25+,26-,27+/m0/s1