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METHYL_(METHYL__5-CYCLOPROPYLAMIDO-4,7,8-TRI-O-ACETYL-9-(4-CHLOROBENZAMIDO)-3,5,9-TRIDEOXY-2-THIO-D-GLYCERO-ALPHA-D-GALACTO-2-NONULO

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METHYL_(METHYL__5-CYCLOPROPYLAMIDO-4,7,8-TRI-O-ACETYL-9-(4-CHLOROBENZAMIDO)-3,5,9-TRIDEOXY-2-THIO-D-GLYCERO-ALPHA-D-GALACTO-2-NONULO
SpectraBase Compound ID K9giwyl1ivB
InChI InChI=1S/C28H35ClN2O11S/c1-14(32)39-20-12-28(43-5,27(37)38-4)42-24(22(20)31-26(36)18-6-7-18)23(41-16(3)34)21(40-15(2)33)13-30-25(35)17-8-10-19(29)11-9-17/h8-11,18,20-24H,6-7,12-13H2,1-5H3,(H,30,35)(H,31,36)/t20-,21+,22+,23-,24+,28-/m0/s1
InChIKey XAPGKFZBGVCWOE-BIJCAHHQSA-N
Mol Weight 643.1 g/mol
Molecular Formula C28H35ClN2O11S
Exact Mass 642.165009 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 97raGuBFxcf
Name METHYL_(METHYL__5-CYCLOPROPYLAMIDO-4,7,8-TRI-O-ACETYL-9-(4-CHLOROBENZAMIDO)-3,5,9-TRIDEOXY-2-THIO-D-GLYCERO-ALPHA-D-GALACTO-2-NONULO
Compound Number 22F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H35ClN2O11S
InChI InChI=1S/C28H35ClN2O11S/c1-14(32)39-20-12-28(43-5,27(37)38-4)42-24(22(20)31-26(36)18-6-7-18)23(41-16(3)34)21(40-15(2)33)13-30-25(35)17-8-10-19(29)11-9-17/h8-11,18,20-24H,6-7,12-13H2,1-5H3,(H,30,35)(H,31,36)/t20-,21+,22+,23-,24+,28-/m0/s1
InChIKey XAPGKFZBGVCWOE-BIJCAHHQSA-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 643.106 g/mol
Solvent CDCl3
Source File Reference UWMZ46791