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METHYL-(2,3,4-TRI-O-BENZOYL-ALPHA-D-GLUCOPYRANOSYL-BROMIDE)-URONATE
SpectraBase Compound ID E657QYiFPUz
InChI InChI=1S/C28H23BrO9/c1-34-28(33)23-21(37-26(31)18-13-7-3-8-14-18)20(36-25(30)17-11-5-2-6-12-17)22(24(29)35-23)38-27(32)19-15-9-4-10-16-19/h2-16,20-24H,1H3/t20-,21-,22+,23-,24-/m1/s1
InChIKey KXTNIKNREDJJSO-GNADVCDUSA-N
Mol Weight 583.39 g/mol
Molecular Formula C28H23BrO9
Exact Mass 582.052545 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AMYZiEucSdv
Name METHYL-(2,3,4-TRI-O-BENZOYL-ALPHA-D-GLUCOPYRANOSYL-BROMIDE)-URONATE
Compound Number 5A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H23BrO9
InChI InChI=1S/C28H23BrO9/c1-34-28(33)23-21(37-26(31)18-13-7-3-8-14-18)20(36-25(30)17-11-5-2-6-12-17)22(24(29)35-23)38-27(32)19-15-9-4-10-16-19/h2-16,20-24H,1H3/t20-,21-,22+,23-,24-/m1/s1
InChIKey KXTNIKNREDJJSO-GNADVCDUSA-N
Literature Reference Author A.M.ESMURZIEV,A.REIMERS,T.ANDREASSEN,N.SIMIC,E.SUNDBY,B.H.HO FF
Literature Reference Citation MOLECULES,17,820(2012)
Literature Reference DOI 10.3390/molecules17010820
Molecular Weight 583.389 g/mol
Sample ID 73015
Solvent CDCl3