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

Systemtic Name: [(5S,5aS,8aR,9R)-9-(3,5-dimethoxy-4-oxidanyl-phenyl)-6-oxidanylidene-5a,8,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl] N-(2-dimethylaminoethyl)carbamate Openeye Name: [(5S,5aS,8aR,9R)-9-(4-hydroxy-3,5-dimethoxy-phenyl)-6-oxo-5a,8,8a,9-tetrahydro-5H-isobenzofuro[5,6-f][1,3]benzodioxol-5-yl] N-(2-dimethylaminoethyl)carbamate CAS Name: N-(2-dimethylaminoethyl)carbamic acid [(5S,5aS,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-6-oxo-5a,8,8a,9-tetrahydro-5H-isobenzofuro[5,6-f][1,3]benzodioxol-5-yl] ester IUPAC Name: [(5S,5aS,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-6-oxo-5a,8,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl] N-(2-dimethylaminoethyl)carbamate Traditional Name: N-(2-dimethylaminoethyl)carbamic acid [(5S,5aS,8aR,9R)-9-(4-hydroxy-3,5-dimethoxy-phenyl)-6-keto-5a,8,8a,9-tetrahydro-5H-isobenzofuro[5,6-f][1,3]benzodioxol-5-yl] ester Formula: C26H30N2O9 MolecularWeight: 514.5244

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNC(=O)OC1C2C(COC2=O)C(C3=CC4=C(C=C13)OCO4)C5=CC(=C(C(=C5)OC)O)OC

Isomeric SMILES

CN(C)CCNC(=O)O[C@H]1[C@@H]2[C@H](COC2=O)[C@@H](C3=CC4=C(C=C13)OCO4)C5=CC(=C(C(=C5)OC)O)OC

InChI

InChI=1S/C26H30N2O9/c1-28(2)6-5-27-26(31)37-24-15-10-18-17(35-12-36-18)9-14(15)21(16-11-34-25(30)22(16)24)13-7-19(32-3)23(29)20(8-13)33-4/h7-10,16,21-22,24,29H,5-6,11-12H2,1-4H3,(H,27,31)/t16-,21-,22+,24-/m1/s1