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2-O-Tozyl-4-piperidino-1,6-anhydro-.beta.-D-glucopyranoside

View entire compound with spectra: 1 MS (GC)

2-O-Tozyl-4-piperidino-1,6-anhydro-.beta.-D-glucopyranoside
SpectraBase Compound ID 6z02VGSjrWJ
InChI InChI=1S/C18H25NO6S/c1-12-5-7-13(8-6-12)26(21,22)25-17-16(20)15(14-11-23-18(17)24-14)19-9-3-2-4-10-19/h5-8,14-18,20H,2-4,9-11H2,1H3/t14-,15-,16+,17-,18-/m1/s1
InChIKey JAWRTPYNQHTDEQ-UYTYNIKBSA-N
Mol Weight 383.46 g/mol
Molecular Formula C18H25NO6S
Exact Mass 383.140259 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3F08vkFt7FK
Name 2-O-Tozyl-4-piperidino-1,6-anhydro-.beta.-D-glucopyranoside
Alternate Name(s) (3-hydroxy-2-piperidin-1-yl-6,8-dioxabicyclo[3.2.1]octan-4-yl) 4-methylbenzenesulfonate 4-Methylbenzenesulfonic acid [3-hydroxy-2-(1-piperidinyl)-6,8-dioxabicyclo[3.2.1]octan-4-yl] ester [3-hydroxy-2-(1-piperidyl)-6,8-dioxabicyclo[3.2.1]octan-4-yl] 4-methylbenzenesulfonate (3-oxidanyl-2-piperidin-1-yl-6,8-dioxabicyclo[3.2.1]octan-4-yl) 4-methylbenzenesulfonate 4-Methylbenzenesulfonic acid (3-hydroxy-2-piperidino-6,8-dioxabicyclo[3.2.1]octan-4-yl) ester
Comments Structure changed after expert review
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H25NO6S
InChI InChI=1S/C18H25NO6S/c1-12-5-7-13(8-6-12)26(21,22)25-17-16(20)15(14-11-23-18(17)24-14)19-9-3-2-4-10-19/h5-8,14-18,20H,2-4,9-11H2,1H3/t14-,15-,16+,17-,18-/m1/s1
InChIKey JAWRTPYNQHTDEQ-UYTYNIKBSA-N
Molecular Weight 383.459 g/mol
SMILES O[C@]1([C@@]([C@@]2(O[C@]([C@@]1(OS(c1ccc(cc1)C)(=O)=O)[H])(OC2)[H])[H])(N1CCCCC1)[H])[H]
SPLASH splash10-000x-7910000000-3b5f24e74e69c8dd6a6d
Wiley ID 1471181