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METHYL_((2,3-DIFLUOROBENZYL)-5-CHLOROACETAMIDO-4,7,8-TRI-O-ACETYL-9-AZIDO-3,5,9-TRIDEOXY-D-GLYCERO-ALPHA-D-GALACTO-2-NONULOPYRANOSID)-ONATE

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METHYL_((2,3-DIFLUOROBENZYL)-5-CHLOROACETAMIDO-4,7,8-TRI-O-ACETYL-9-AZIDO-3,5,9-TRIDEOXY-D-GLYCERO-ALPHA-D-GALACTO-2-NONULOPYRANOSID)-ONATE
SpectraBase Compound ID 4qj7FDBiMPL
InChI InChI=1S/C25H29ClF2N4O11/c1-12(33)40-17-8-25(24(37)38-4,39-11-15-6-5-7-16(27)20(15)28)43-23(21(17)31-19(36)9-26)22(42-14(3)35)18(10-30-32-29)41-13(2)34/h5-7,17-18,21-23H,8-11H2,1-4H3,(H,31,36)/t17-,18+,21+,22-,23+,25+/m0/s1
InChIKey IOFHAGXHMMANCG-WOYVPVMMSA-N
Mol Weight 634.97 g/mol
Molecular Formula C25H29ClF2N4O11
Exact Mass 634.148942 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8vE8NIsUu6z
Name METHYL_((2,3-DIFLUOROBENZYL)-5-CHLOROACETAMIDO-4,7,8-TRI-O-ACETYL-9-AZIDO-3,5,9-TRIDEOXY-D-GLYCERO-ALPHA-D-GALACTO-2-NONULOPYRANOSID)-ONATE
Compound Number 17B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H29ClF2N4O11
InChI InChI=1S/C25H29ClF2N4O11/c1-12(33)40-17-8-25(24(37)38-4,39-11-15-6-5-7-16(27)20(15)28)43-23(21(17)31-19(36)9-26)22(42-14(3)35)18(10-30-32-29)41-13(2)34/h5-7,17-18,21-23H,8-11H2,1-4H3,(H,31,36)/t17-,18+,21+,22-,23+,25+/m0/s1
InChIKey IOFHAGXHMMANCG-WOYVPVMMSA-N
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 634.975 g/mol
Solvent CDCl3
Source File Reference UWMZ46777