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S-(4-NITROBENZYL)-2-ACETAMIDO-3,4,6-TRI-O-ACETYL-2-DEOXY-1-THIO-BETA-D-GLUCOPYRNOSIDE
SpectraBase Compound ID E7z932tQdie
InChI InChI=1S/C21H26N2O10S/c1-11(24)22-18-20(32-14(4)27)19(31-13(3)26)17(9-30-12(2)25)33-21(18)34-10-15-5-7-16(8-6-15)23(28)29/h5-8,17-21H,9-10H2,1-4H3,(H,22,24)/t17-,18-,19-,20-,21+/m1/s1
InChIKey RAKNRIRXZCWHFU-ONUIULTDSA-N
Mol Weight 498.5 g/mol
Molecular Formula C21H26N2O10S
Exact Mass 498.130816 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID XS4nwquAsc
Name S-(4-NITROBENZYL)-2-ACETAMIDO-3,4,6-TRI-O-ACETYL-2-DEOXY-1-THIO-BETA-D-GLUCOPYRNOSIDE
Compound Number 13
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H26N2O10S
InChI InChI=1S/C21H26N2O10S/c1-11(24)22-18-20(32-14(4)27)19(31-13(3)26)17(9-30-12(2)25)33-21(18)34-10-15-5-7-16(8-6-15)23(28)29/h5-8,17-21H,9-10H2,1-4H3,(H,22,24)/t17-,18-,19-,20-,21+/m1/s1
InChIKey RAKNRIRXZCWHFU-ONUIULTDSA-N
Literature Reference Author D.I.ANGUS,M.J.KIEFEL,M.V.ITZSTEIN
Literature Reference Citation BIOORG.MED.CHEM.,8,2709(2000)
Literature Reference DOI 10.1016/S0968-0896(00)00201-7
Molecular Weight 498.505 g/mol
Solvent CDCl3
Source File Reference UWVN20485