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METHYL_((2,3-DIFLUOROBENZYL)_5-FLUOROACETAMIDO-4,7,8-TRI-O-ACETYL-9-(4-CHLOROBENZAMIDO)-3,5,9-TRIDEOXY-D-GLYCERO-ALPHA-D-GALACTO-2-NONULO

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METHYL_((2,3-DIFLUOROBENZYL)_5-FLUOROACETAMIDO-4,7,8-TRI-O-ACETYL-9-(4-CHLOROBENZAMIDO)-3,5,9-TRIDEOXY-D-GLYCERO-ALPHA-D-GALACTO-2-NONULO
SpectraBase Compound ID KJOn5jqRSkx
InChI InChI=1S/C32H34ClF3N2O12/c1-16(39)47-23-12-32(31(44)45-4,46-15-20-6-5-7-22(35)26(20)36)50-29(27(23)38-25(42)13-34)28(49-18(3)41)24(48-17(2)40)14-37-30(43)19-8-10-21(33)11-9-19/h5-11,23-24,27-29H,12-15H2,1-4H3,(H,37,43)(H,38,42)/t23-,24-,27+,28+,29+,32+/m0/s1
InChIKey HAQJIYXDVAYNSD-BKYWDWCOSA-N
Mol Weight 731.1 g/mol
Molecular Formula C32H34ClF3N2O12
Exact Mass 730.175237 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EUWr7XMA47
Name METHYL_((2,3-DIFLUOROBENZYL)_5-FLUOROACETAMIDO-4,7,8-TRI-O-ACETYL-9-(4-CHLOROBENZAMIDO)-3,5,9-TRIDEOXY-D-GLYCERO-ALPHA-D-GALACTO-2-NONULO
Compound Number 18A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C32H34ClF3N2O12
InChI InChI=1S/C32H34ClF3N2O12/c1-16(39)47-23-12-32(31(44)45-4,46-15-20-6-5-7-22(35)26(20)36)50-29(27(23)38-25(42)13-34)28(49-18(3)41)24(48-17(2)40)14-37-30(43)19-8-10-21(33)11-9-19/h5-11,23-24,27-29H,12-15H2,1-4H3,(H,37,43)(H,38,42)/t23-,24-,27+,28+,29+,32+/m0/s1
InChIKey HAQJIYXDVAYNSD-BKYWDWCOSA-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 731.076 g/mol
Solvent CDCl3
Source File Reference UWMZ46780