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METHYL_(METHYL_5-AMINO-4,7,8-TRI-O-ACETYL-9-(4-CHLOROBENZAMIDO)-3,5,9-TRIDEOXY-2-THIO-D-GLYCERO-ALPHA-D-GALACTO-2-NONULOPYRANOSID)-ONATE

View entire compound with spectra: 1 NMR

METHYL_(METHYL_5-AMINO-4,7,8-TRI-O-ACETYL-9-(4-CHLOROBENZAMIDO)-3,5,9-TRIDEOXY-2-THIO-D-GLYCERO-ALPHA-D-GALACTO-2-NONULOPYRANOSID)-ONATE
SpectraBase Compound ID CFawNfVIVIM
InChI InChI=1S/C24H31ClN2O10S/c1-12(28)34-17-10-24(38-5,23(32)33-4)37-21(19(17)26)20(36-14(3)30)18(35-13(2)29)11-27-22(31)15-6-8-16(25)9-7-15/h6-9,17-21H,10-11,26H2,1-5H3,(H,27,31)/t17-,18+,19+,20-,21+,24-/m0/s1
InChIKey IGHLNTQQMBMKCH-SSYZULIXSA-N
Mol Weight 575.03 g/mol
Molecular Formula C24H31ClN2O10S
Exact Mass 574.138794 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3qlhcnInbqm
Name METHYL_(METHYL_5-AMINO-4,7,8-TRI-O-ACETYL-9-(4-CHLOROBENZAMIDO)-3,5,9-TRIDEOXY-2-THIO-D-GLYCERO-ALPHA-D-GALACTO-2-NONULOPYRANOSID)-ONATE
Compound Number 21
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H31ClN2O10S
InChI InChI=1S/C24H31ClN2O10S/c1-12(28)34-17-10-24(38-5,23(32)33-4)37-21(19(17)26)20(36-14(3)30)18(35-13(2)29)11-27-22(31)15-6-8-16(25)9-7-15/h6-9,17-21H,10-11,26H2,1-5H3,(H,27,31)/t17-,18+,19+,20-,21+,24-/m0/s1
InChIKey IGHLNTQQMBMKCH-SSYZULIXSA-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 575.031 g/mol
Solvent CD2Cl2
Source File Reference UWMZ46775