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

Systemtic Name: (5R,5aR,9S)-9-[2-[1,3-bis(oxidanyl)propan-2-yl-methyl-amino]ethyl]-5-(3,5-dimethoxy-4-oxidanyl-phenyl)-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-hydroxy-1-(hydroxymethyl)ethyl]-methyl-amino]ethyl]-5a,8,8a,9-tetrahydro-5H-isobenzofuro[6,5-f][1,3]benzodioxol-6-one CAS Name: (5R,5aR,9S)-9-[2-[1,3-dihydroxypropan-2-yl(methyl)amino]ethyl]-5-(4-hydroxy-3,5-dimethoxyphenyl)-5a,8,8a,9-tetrahydro-5H-isobenzofuro[6,5-f][1,3]benzodioxol-6-one IUPAC Name: (5R,5aR,9S)-9-[2-[1,3-dihydroxypropan-2-yl(methyl)amino]ethyl]-5-(4-hydroxy-3,5-dimethoxyphenyl)-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-hydroxy-1-methylol-ethyl)-methyl-amino]ethyl]-5a,8,8a,9-tetrahydro-5H-isobenzofuro[6,5-f][1,3]benzodioxol-6-one Formula: C27H33NO9 MolecularWeight: 515.55222

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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)C(CO)CO

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)C(CO)CO

InChI

InChI=1S/C27H33NO9/c1-28(15(10-29)11-30)5-4-16-17-8-20-21(37-13-36-20)9-18(17)24(25-19(16)12-35-27(25)32)14-6-22(33-2)26(31)23(7-14)34-3/h6-9,15-16,19,24-25,29-31H,4-5,10-13H2,1-3H3/t16-,19?,24-,25+/m1/s1