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

View entire compound with spectra: 1 NMR

SODIUM_((2,3-DIFLUOROBENZYL)-5-CYCLOBUTYLAMIDO-9-(4-CHLOROBENZAMIDO)-3,5,9-TRIDEOXY-D-GLYCERO-ALPHA-D-GALACTO-2-NONULOPYRANOSID)-ONATE
SpectraBase Compound ID D7InVbKlbLX
InChI InChI=1S/C28H31ClF2N2O9.Na/c29-17-9-7-15(8-10-17)25(37)32-12-20(35)23(36)24-22(33-26(38)14-3-1-4-14)19(34)11-28(42-24,27(39)40)41-13-16-5-2-6-18(30)21(16)31;/h2,5-10,14,19-20,22-24,34-36H,1,3-4,11-13H2,(H,32,37)(H,33,38)(H,39,40);/q;+1/p-1/t19-,20+,22+,23-,24+,28+;/m0./s1
InChIKey OCXODRIGHZTMND-FKJIKHGOSA-M
Mol Weight 634.99 g/mol
Molecular Formula C28H30ClF2N2NaO9
Exact Mass 634.150559 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GbQrWX6jOIN
Name SODIUM_((2,3-DIFLUOROBENZYL)-5-CYCLOBUTYLAMIDO-9-(4-CHLOROBENZAMIDO)-3,5,9-TRIDEOXY-D-GLYCERO-ALPHA-D-GALACTO-2-NONULOPYRANOSID)-ONATE
Compound Number 19G
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H30ClF2N2NaO9
InChI InChI=1S/C28H31ClF2N2O9.Na/c29-17-9-7-15(8-10-17)25(37)32-12-20(35)23(36)24-22(33-26(38)14-3-1-4-14)19(34)11-28(42-24,27(39)40)41-13-16-5-2-6-18(30)21(16)31;/h2,5-10,14,19-20,22-24,34-36H,1,3-4,11-13H2,(H,32,37)(H,33,38)(H,39,40);/q;+1/p-1/t19-,20+,22+,23-,24+,28+;/m0./s1
InChIKey OCXODRIGHZTMND-FKJIKHGOSA-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 634.994 g/mol
Solvent D2O
Source File Reference UWMZ46790