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METHYL-(4'S,5'R,6'R,7'S)-6-DEOXY-D-GLUCOPYRANOSIDE-6-(4',7'-DIHYDROXYMETHYL-5',6'-DIHYDROXY-1',3'-DIAZEPAN-2'-YL)-IMINIUM-TRIFLUOROACETATE

View entire compound with spectra: 1 NMR

METHYL-(4'S,5'R,6'R,7'S)-6-DEOXY-D-GLUCOPYRANOSIDE-6-(4',7'-DIHYDROXYMETHYL-5',6'-DIHYDROXY-1',3'-DIAZEPAN-2'-YL)-IMINIUM-TRIFLUOROACETATE
SpectraBase Compound ID GiPs9uwqoGL
InChI InChI=1S/C14H27N3O9.C2HF3O2/c1-25-13-12(24)11(23)10(22)7(26-13)2-15-14-16-5(3-18)8(20)9(21)6(4-19)17-14;3-2(4,5)1(6)7/h5-13,18-24H,2-4H2,1H3,(H2,15,16,17);(H,6,7)/t5-,6-,7-,8+,9+,10-,11+,12-,13+;/m0./s1
InChIKey NHKPYJGDRUMJFF-VXOQIUBMSA-N
Mol Weight 495.41 g/mol
Molecular Formula C16H28F3N3O11
Exact Mass 495.167593 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KVcl1mvfFHS
Name METHYL-(4'S,5'R,6'R,7'S)-6-DEOXY-D-GLUCOPYRANOSIDE-6-(4',7'-DIHYDROXYMETHYL-5',6'-DIHYDROXY-1',3'-DIAZEPAN-2'-YL)-IMINIUM-TRIFLUOROACETATE
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H28F3N3O11
InChI InChI=1S/C14H27N3O9.C2HF3O2/c1-25-13-12(24)11(23)10(22)7(26-13)2-15-14-16-5(3-18)8(20)9(21)6(4-19)17-14;3-2(4,5)1(6)7/h5-13,18-24H,2-4H2,1H3,(H2,15,16,17);(H,6,7)/t5-,6-,7-,8+,9+,10-,11+,12-,13+;/m0./s1
InChIKey NHKPYJGDRUMJFF-VXOQIUBMSA-N
Literature Reference Author Y.L.MERRER,L.GAUZY,C.GRAVIER-PELLETIER,J.C.DEPEZAY
Literature Reference Citation BIOORG.MED.CHEM.,8,307(2000)
Literature Reference DOI 10.1016/S0968-0896(99)00294-1
Molecular Weight 495.407 g/mol
Solvent CD3OD
Source File Reference UWVN20098