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

Systemtic Name: dimethyl 5-[[(5S,5aS,8aR,9R)-9-(3,5-dimethoxy-4-oxidanyl-phenyl)-8-oxidanylidene-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]amino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[(5S,5aS,8aR,9R)-9-(4-hydroxy-3,5-dimethoxy-phenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-isobenzofuro[5,6-f][1,3]benzodioxol-5-yl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[(5S,5aS,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-isobenzofuro[5,6-f][1,3]benzodioxol-5-yl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[(5S,5aS,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[(5S,5aS,8aR,9R)-9-(4-hydroxy-3,5-dimethoxy-phenyl)-8-keto-5a,6,8a,9-tetrahydro-5H-isobenzofuro[5,6-f][1,3]benzodioxol-5-yl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C31H29NO11 MolecularWeight: 591.56206

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)NC6=CC(=CC(=C6)C(=O)OC)C(=O)OC

Isomeric SMILES

COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)NC6=CC(=CC(=C6)C(=O)OC)C(=O)OC

InChI

InChI=1S/C31H29NO11/c1-37-23-8-14(9-24(38-2)28(23)33)25-18-10-21-22(43-13-42-21)11-19(18)27(20-12-41-31(36)26(20)25)32-17-6-15(29(34)39-3)5-16(7-17)30(35)40-4/h5-11,20,25-27,32-33H,12-13H2,1-4H3/t20-,25+,26-,27+/m0/s1