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METHYL_(2,3-DICHLOROBENZYL_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_(2,3-DICHLOROBENZYL_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 JpIHqYreJGD
InChI InChI=1S/C32H35Cl3N2O12/c1-16(38)37-27-24(46-17(2)39)13-32(31(43)44-5,45-15-21-7-6-8-23(34)26(21)35)49-29(27)28(48-19(4)41)25(47-18(3)40)14-36-30(42)20-9-11-22(33)12-10-20/h6-12,24-25,27-29H,13-15H2,1-5H3,(H,36,42)(H,37,38)/t24-,25+,27+,28-,29+,32+/m0/s1
InChIKey KXLDANXHKIBNPW-RQBGULOZSA-N
Mol Weight 746.0 g/mol
Molecular Formula C32H35Cl3N2O12
Exact Mass 744.125558 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Aa0GvCgwkE6
Name METHYL_(2,3-DICHLOROBENZYL_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 12E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C32H35Cl3N2O12
InChI InChI=1S/C32H35Cl3N2O12/c1-16(38)37-27-24(46-17(2)39)13-32(31(43)44-5,45-15-21-7-6-8-23(34)26(21)35)49-29(27)28(48-19(4)41)25(47-18(3)40)14-36-30(42)20-9-11-22(33)12-10-20/h6-12,24-25,27-29H,13-15H2,1-5H3,(H,36,42)(H,37,38)/t24-,25+,27+,28-,29+,32+/m0/s1
InChIKey KXLDANXHKIBNPW-RQBGULOZSA-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 745.995 g/mol
Solvent CDCl3
Source File Reference UWMZ46760