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METHYL_(4-CHLOROBENZYL_5-ACETAMIDO-4,7,8-TRI-O-ACETYL-9-(4-CHLOROBENZAMIDO)-3,5,9-TRIDEOXY-D-GLYCERO-ALPHA-D-GALACTO-2-NONULOPYRANOSID)-ONATE

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METHYL_(4-CHLOROBENZYL_5-ACETAMIDO-4,7,8-TRI-O-ACETYL-9-(4-CHLOROBENZAMIDO)-3,5,9-TRIDEOXY-D-GLYCERO-ALPHA-D-GALACTO-2-NONULOPYRANOSID)-ONATE
SpectraBase Compound ID 4iZN9pqdWyL
InChI InChI=1S/C32H36Cl2N2O12/c1-17(37)36-27-25(45-18(2)38)14-32(31(42)43-5,44-16-21-6-10-23(33)11-7-21)48-29(27)28(47-20(4)40)26(46-19(3)39)15-35-30(41)22-8-12-24(34)13-9-22/h6-13,25-29H,14-16H2,1-5H3,(H,35,41)(H,36,37)/t25-,26+,27+,28-,29+,32+/m0/s1
InChIKey BKNBOHVEFLPOMX-DWVSKDFASA-N
Mol Weight 711.5 g/mol
Molecular Formula C32H36Cl2N2O12
Exact Mass 710.16453 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IJH6vSiAkLQ
Name METHYL_(4-CHLOROBENZYL_5-ACETAMIDO-4,7,8-TRI-O-ACETYL-9-(4-CHLOROBENZAMIDO)-3,5,9-TRIDEOXY-D-GLYCERO-ALPHA-D-GALACTO-2-NONULOPYRANOSID)-ONATE
Compound Number 12A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C32H36Cl2N2O12
InChI InChI=1S/C32H36Cl2N2O12/c1-17(37)36-27-25(45-18(2)38)14-32(31(42)43-5,44-16-21-6-10-23(33)11-7-21)48-29(27)28(47-20(4)40)26(46-19(3)39)15-35-30(41)22-8-12-24(34)13-9-22/h6-13,25-29H,14-16H2,1-5H3,(H,35,41)(H,36,37)/t25-,26+,27+,28-,29+,32+/m0/s1
InChIKey BKNBOHVEFLPOMX-DWVSKDFASA-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 711.550 g/mol
Solvent CDCl3
Source File Reference UWMZ46756