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2-ACETAMIDO-1,6-ANHYDRO-3-O-BENZOYL-2-DEOXY-4-THIO-4-S-[3,4,6-TRI-O-BENZOYL-2-DEOXY-2-(2,2,2-TRICHLOROETHOXYCARBONYLAMINO)-BETA-D-GLUCOPYRANOSYL]-

Compound with spectra: 1 NMR

2-ACETAMIDO-1,6-ANHYDRO-3-O-BENZOYL-2-DEOXY-4-THIO-4-S-[3,4,6-TRI-O-BENZOYL-2-DEOXY-2-(2,2,2-TRICHLOROETHOXYCARBONYLAMINO)-BETA-D-GLUCOPYRANOSYL]-
SpectraBase Compound ID H4NPMkh0YtV
InChI InChI=1S/C45H41Cl3N2O14S/c1-25(51)49-32-36(64-41(55)29-20-12-5-13-21-29)37(31-23-58-42(32)60-31)65-43-33(50-44(56)59-24-45(46,47)48)35(63-40(54)28-18-10-4-11-19-28)34(62-39(53)27-16-8-3-9-17-27)30(61-43)22-57-38(52)26-14-6-2-7-15-26/h2-21,30-37,42-43H,22-24H2,1H3,(H,49,51)(H,50,56)/t30-,31?,32-,33-,34-,35-,36-,37-,42?,43+/m1/s1
InChIKey PREDIMWBKQISLG-UFOKRSFUSA-N
Mol Weight 972.2 g/mol
Molecular Formula C45H41Cl3N2O14S
Exact Mass 970.134408 g/mol
Enantiomer InChIKey PREDIMWBKQISLG-VIWNUWBCSA-N

View Spectrum of 2-ACETAMIDO-1,6-ANHYDRO-3-O-BENZOYL-2-DEOXY-4-THIO-4-S-[3,4,6-TRI-O-BENZOYL-2-DEOXY-2-(2,2,2-TRICHLOROETHOXYCARBONYLAMINO)-BETA-D-GLUCOPYRANOSYL]-

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
Title Journal or Book Year
Synthesis of S-linked thiooligosaccharide analogues of Nod factors. Part 1: selectively N-protected 4-thiochitobiose precursors Journal of the Chemical Society, Perkin Transactions 1 1998
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