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1,2,4,6-TETRA-O-ACETYL-3-S-(2,3,4,6-TETRA-O-ACETYL-BETA-GLUCOPYRANOSYL)-3-THIO-ALPHA/BETA-D-ALLOPYRANOSE
SpectraBase Compound ID BjVOGCSmMiK
InChI InChI=1S/C28H38O18S/c1-11(29)37-9-19-21(39-13(3)31)23(41-15(5)33)24(42-16(6)34)28(46-19)47-26-22(40-14(4)32)20(10-38-12(2)30)45-27(44-18(8)36)25(26)43-17(7)35/h19-28H,9-10H2,1-8H3/t19-,20-,21-,22-,23+,24-,25-,26-,27?,28+/m1/s1
InChIKey SXIXWTBMJFVENB-LJXDFYTKSA-N
Mol Weight 694.7 g/mol
Molecular Formula C28H38O18S
Exact Mass 694.177886 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CQkglkXmTU5
Name 1,2,4,6-TETRA-O-ACETYL-3-S-(2,3,4,6-TETRA-O-ACETYL-BETA-GLUCOPYRANOSYL)-3-THIO-ALPHA/BETA-D-ALLOPYRANOSE
Compound Number 13
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H38O18S
InChI InChI=1S/C28H38O18S/c1-11(29)37-9-19-21(39-13(3)31)23(41-15(5)33)24(42-16(6)34)28(46-19)47-26-22(40-14(4)32)20(10-38-12(2)30)45-27(44-18(8)36)25(26)43-17(7)35/h19-28H,9-10H2,1-8H3/t19-,20-,21-,22-,23+,24-,25-,26-,27?,28+/m1/s1
InChIKey SXIXWTBMJFVENB-LJXDFYTKSA-N
Literature Reference Author Z.J.WITCZAK,P.KAPLON,M.KOLODZIEJ
Literature Reference Citation MH.CHEM.,133,521(2002)
Literature Reference DOI 10.1007/s007060200025
Molecular Weight 694.659 g/mol
Solvent CDCl3
Source File Reference UWKP11480