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

Systemtic Name: (5S,8aR,9R)-9-(3,5-dimethoxy-4-oxidanyl-phenyl)-5-[(2-dimethylaminoethylamino)methoxy]-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one Openeye Name: (5S,8aR,9R)-5-[(2-dimethylaminoethylamino)methoxy]-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,8aR,9R)-5-[(2-dimethylaminoethylamino)methoxy]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[5,6-f][1,3]benzodioxol-8-one IUPAC Name: (5S,8aR,9R)-5-[(2-dimethylaminoethylamino)methoxy]-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,8aR,9R)-5-[(2-dimethylaminoethylamino)methoxy]-9-(4-hydroxy-3,5-dimethoxy-phenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[5,6-f][1,3]benzodioxol-8-one Formula: C26H32N2O8 MolecularWeight: 500.54088

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNCOC1C2COC(=O)C2C(C3=CC4=C(C=C13)OCO4)C5=CC(=C(C(=C5)OC)O)OC

Isomeric SMILES

CN(C)CCNCO[C@H]1C2COC(=O)[C@@H]2[C@@H](C3=CC4=C(C=C13)OCO4)C5=CC(=C(C(=C5)OC)O)OC

InChI

InChI=1S/C26H32N2O8/c1-28(2)6-5-27-12-34-25-16-10-19-18(35-13-36-19)9-15(16)22(23-17(25)11-33-26(23)30)14-7-20(31-3)24(29)21(8-14)32-4/h7-10,17,22-23,25,27,29H,5-6,11-13H2,1-4H3/t17?,22-,23+,25-/m1/s1