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SODIUM_((2,3-DIFLUOROBENZYL)-5-(ORTHO-NITROTOLUENESULFONAMIDO)-9-(4-CHLOROBENZAMIDO)-3,5,9-TRIDEOXY-D-GLYCERO-ALPHA-D-GALACTO-2-NONULO

View entire compound with spectra: 1 NMR

SODIUM_((2,3-DIFLUOROBENZYL)-5-(ORTHO-NITROTOLUENESULFONAMIDO)-9-(4-CHLOROBENZAMIDO)-3,5,9-TRIDEOXY-D-GLYCERO-ALPHA-D-GALACTO-2-NONULO
SpectraBase Compound ID D1AcKa0WOMI
InChI InChI=1S/C29H28ClF2N3O12S.Na/c30-17-10-8-15(9-11-17)27(39)33-13-21(37)25(38)26-24(34-48(44,45)22-7-2-1-6-19(22)35(42)43)20(36)12-29(47-26,28(40)41)46-14-16-4-3-5-18(31)23(16)32;/h1-11,20-21,24-26,34,36-38H,12-14H2,(H,33,39)(H,40,41);/q;+1/p-1/t20-,21+,24+,25-,26+,29+;/m0./s1
InChIKey LBBKZWKBMKYBBK-MVNCLJTBSA-M
Mol Weight 738.04 g/mol
Molecular Formula C29H27ClF2N3NaO12S
Exact Mass 737.086973 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID oQ1Vq0bCH1
Name SODIUM_((2,3-DIFLUOROBENZYL)-5-(ORTHO-NITROTOLUENESULFONAMIDO)-9-(4-CHLOROBENZAMIDO)-3,5,9-TRIDEOXY-D-GLYCERO-ALPHA-D-GALACTO-2-NONULO
Compound Number 19C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H27ClF2N3NaO12S
InChI InChI=1S/C29H28ClF2N3O12S.Na/c30-17-10-8-15(9-11-17)27(39)33-13-21(37)25(38)26-24(34-48(44,45)22-7-2-1-6-19(22)35(42)43)20(36)12-29(47-26,28(40)41)46-14-16-4-3-5-18(31)23(16)32;/h1-11,20-21,24-26,34,36-38H,12-14H2,(H,33,39)(H,40,41);/q;+1/p-1/t20-,21+,24+,25-,26+,29+;/m0./s1
InChIKey LBBKZWKBMKYBBK-MVNCLJTBSA-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 738.046 g/mol
Solvent D2O
Source File Reference UWMZ46786