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

Systemtic Name: (5R,5aR,9S)-5-(3,5-dimethoxy-4-oxidanyl-phenyl)-9-[2-[2-hydroxyethyl(methyl)amino]ethyl]-5a,8,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-6-one Openeye Name: (5R,5aR,9S)-5-(4-hydroxy-3,5-dimethoxy-phenyl)-9-[2-[2-hydroxyethyl(methyl)amino]ethyl]-5a,8,8a,9-tetrahydro-5H-isobenzofuro[6,5-f][1,3]benzodioxol-6-one CAS Name: (5R,5aR,9S)-5-(4-hydroxy-3,5-dimethoxyphenyl)-9-[2-[2-hydroxyethyl(methyl)amino]ethyl]-5a,8,8a,9-tetrahydro-5H-isobenzofuro[6,5-f][1,3]benzodioxol-6-one IUPAC Name: (5R,5aR,9S)-5-(4-hydroxy-3,5-dimethoxyphenyl)-9-[2-[2-hydroxyethyl(methyl)amino]ethyl]-5a,8,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-6-one Traditional Name: (5R,5aR,9S)-5-(4-hydroxy-3,5-dimethoxy-phenyl)-9-[2-[2-hydroxyethyl(methyl)amino]ethyl]-5a,8,8a,9-tetrahydro-5H-isobenzofuro[6,5-f][1,3]benzodioxol-6-one Formula: C26H31NO8 MolecularWeight: 485.52624

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1C2COC(=O)C2C(C3=CC4=C(C=C13)OCO4)C5=CC(=C(C(=C5)OC)O)OC)CCO

Isomeric SMILES

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

InChI

InChI=1S/C26H31NO8/c1-27(6-7-28)5-4-15-16-10-19-20(35-13-34-19)11-17(16)23(24-18(15)12-33-26(24)30)14-8-21(31-2)25(29)22(9-14)32-3/h8-11,15,18,23-24,28-29H,4-7,12-13H2,1-3H3/t15-,18?,23-,24+/m1/s1