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1,6-Anhydro-4-(3,4-methylenedioxyphenylmethylamino)-2-O-tosyl-4-deoxy-b-d-glucopyranose
SpectraBase Compound ID KPE5Cj510YC
InChI InChI=1S/C21H23NO8S/c1-12-2-5-14(6-3-12)31(24,25)30-20-19(23)18(17-10-26-21(20)29-17)22-9-13-4-7-15-16(8-13)28-11-27-15/h2-8,17-23H,9-11H2,1H3/t17-,18-,19+,20-,21-/m1/s1
InChIKey LVQQCZPHBHIXKT-YMQHIKHWSA-N
Mol Weight 449.47 g/mol
Molecular Formula C21H23NO8S
Exact Mass 449.114438 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 10cvdSRMSlg
Name 1,6-Anhydro-4-(3,4-methylenedioxyphenylmethylamino)-2-O-tosyl-4-deoxy-b-d-glucopyranose
Comments Structure changed after expert review
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H23NO8S
InChI InChI=1S/C21H23NO8S/c1-12-2-5-14(6-3-12)31(24,25)30-20-19(23)18(17-10-26-21(20)29-17)22-9-13-4-7-15-16(8-13)28-11-27-15/h2-8,17-23H,9-11H2,1H3/t17-,18-,19+,20-,21-/m1/s1
InChIKey LVQQCZPHBHIXKT-YMQHIKHWSA-N
Molecular Weight 449.474 g/mol
SMILES N([C@]1([C@@]([C@]([C@]2(O[C@@]1(CO2)[H])[H])(OS(c1ccc(cc1)C)(=O)=O)[H])(O)[H])[H])Cc1ccc2c(c1)OCO2
SPLASH splash10-000i-7900000000-593759bdad50067da96f
Synonyms [2-(1,3-benzodioxol-5-ylmethylamino)-3-hydroxy-6,8-dioxabicyclo[3.2.1]octan-4-yl] 4-methylbenzenesulfonate 4-Methylbenzenesulfonic acid [2-(1,3-benzodioxol-5-ylmethylamino)-3-hydroxy-6,8-dioxabicyclo[3.2.1]octan-4-yl] ester [2-(1,3-benzodioxol-5-ylmethylamino)-3-oxidanyl-6,8-dioxabicyclo[3.2.1]octan-4-yl] 4-methylbenzenesulfonate 4-Methylbenzenesulfonic acid [3-hydroxy-2-(piperonylamino)-6,8-dioxabicyclo[3.2.1]octan-4-yl] ester
Wiley ID 1469767