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SODIUM_(4-CHLOROBENZYL_5-ACETAMIDO-9-(4-CHLOROBENZAMIDO)-3,5,9-TRIDEOXY-D-GLYCERO-ALPHA-D-GALACTO-2-NONULOPYRANOSID)-ONATE

View entire compound with spectra: 1 NMR

SODIUM_(4-CHLOROBENZYL_5-ACETAMIDO-9-(4-CHLOROBENZAMIDO)-3,5,9-TRIDEOXY-D-GLYCERO-ALPHA-D-GALACTO-2-NONULOPYRANOSID)-ONATE
SpectraBase Compound ID LDqMNy8pY3a
InChI InChI=1S/C25H28Cl2N2O9.Na/c1-13(30)29-20-18(31)10-25(24(35)36,37-12-14-2-6-16(26)7-3-14)38-22(20)21(33)19(32)11-28-23(34)15-4-8-17(27)9-5-15;/h2-9,18-22,31-33H,10-12H2,1H3,(H,28,34)(H,29,30)(H,35,36);/q;+1/p-1/t18-,19+,20+,21-,22+,25+;/m0./s1
InChIKey DQKXPGFHFIOBHM-PPJYUMFQSA-M
Mol Weight 593.39 g/mol
Molecular Formula C25H27Cl2N2NaO9
Exact Mass 592.09913 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G1mLcEynvOX
Name SODIUM_(4-CHLOROBENZYL_5-ACETAMIDO-9-(4-CHLOROBENZAMIDO)-3,5,9-TRIDEOXY-D-GLYCERO-ALPHA-D-GALACTO-2-NONULOPYRANOSID)-ONATE
Compound Number 13A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H27Cl2N2NaO9
InChI InChI=1S/C25H28Cl2N2O9.Na/c1-13(30)29-20-18(31)10-25(24(35)36,37-12-14-2-6-16(26)7-3-14)38-22(20)21(33)19(32)11-28-23(34)15-4-8-17(27)9-5-15;/h2-9,18-22,31-33H,10-12H2,1H3,(H,28,34)(H,29,30)(H,35,36);/q;+1/p-1/t18-,19+,20+,21-,22+,25+;/m0./s1
InChIKey DQKXPGFHFIOBHM-PPJYUMFQSA-M
Literature Reference Author S.MESCH,D.MOSER,D.S.STRASSER,A.KELM,B.CUTTING,G.ROSSATO,A.VE DANI,H.KOLIWER-BRAND
Literature Reference Citation J.MED.CHEM.,53,1597(2010)
Literature Reference DOI 10.1021/jm901517k
Molecular Weight 593.393 g/mol
Solvent CD3OD
Source File Reference UWMZ46762