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METHYL_(METHYL_5-ORTHO-NITROTOLUENESULFONAMIDO-4,7,8-TRI-O-ACETYL-9-AZIDO-3,5,9-TRIDEOXY-D-GLYCERO-ALPHA-D-GALACTO-2-NONULOPYRANOSID)-ONATE

View entire compound with spectra: 1 NMR

METHYL_(METHYL_5-ORTHO-NITROTOLUENESULFONAMIDO-4,7,8-TRI-O-ACETYL-9-AZIDO-3,5,9-TRIDEOXY-D-GLYCERO-ALPHA-D-GALACTO-2-NONULOPYRANOSID)-ONATE
SpectraBase Compound ID 1Iuv0SvNGkm
InChI InChI=1S/C23H29N5O13S2/c1-12(29)38-16-10-23(42-5,22(32)37-4)41-21(20(40-14(3)31)17(11-25-27-24)39-13(2)30)19(16)26-43(35,36)18-9-7-6-8-15(18)28(33)34/h6-9,16-17,19-21,26H,10-11H2,1-5H3/t16-,17+,19+,20-,21+,23-/m0/s1
InChIKey LCXFATAPRRVQFI-QPFLDQEYSA-N
Mol Weight 647.63 g/mol
Molecular Formula C23H29N5O13S2
Exact Mass 647.120328 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AjKVfdqNtLd
Name METHYL_(METHYL_5-ORTHO-NITROTOLUENESULFONAMIDO-4,7,8-TRI-O-ACETYL-9-AZIDO-3,5,9-TRIDEOXY-D-GLYCERO-ALPHA-D-GALACTO-2-NONULOPYRANOSID)-ONATE
Compound Number 16C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H29N5O13S2
InChI InChI=1S/C23H29N5O13S2/c1-12(29)38-16-10-23(42-5,22(32)37-4)41-21(20(40-14(3)31)17(11-25-27-24)39-13(2)30)19(16)26-43(35,36)18-9-7-6-8-15(18)28(33)34/h6-9,16-17,19-21,26H,10-11H2,1-5H3/t16-,17+,19+,20-,21+,23-/m0/s1
InChIKey LCXFATAPRRVQFI-QPFLDQEYSA-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 647.629 g/mol
Solvent CDCl3
Source File Reference UWMZ46772