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N-(2,3,4,6-TETRA-O-BENZYL-BETA-D-GLUCOPYRANOSYL)-2-[(5-S)-5-METHYL-4-OXO-2,2-BIS-(TRIFLUOROMETHYL)-1,3-DIOXOLAN-5-YL]-ACETAMIDE;MAJOR_ISOMER

View entire compound with spectra: 4 NMR

N-(2,3,4,6-TETRA-O-BENZYL-BETA-D-GLUCOPYRANOSYL)-2-[(5-S)-5-METHYL-4-OXO-2,2-BIS-(TRIFLUOROMETHYL)-1,3-DIOXOLAN-5-YL]-ACETAMIDE;MAJOR_ISOMER
SpectraBase Compound ID GgLF3kktvK4
InChI InChI=1S/C42H41F6NO9/c1-39(38(51)57-40(58-39,41(43,44)45)42(46,47)48)22-33(50)49-37-36(55-26-31-20-12-5-13-21-31)35(54-25-30-18-10-4-11-19-30)34(53-24-29-16-8-3-9-17-29)32(56-37)27-52-23-28-14-6-2-7-15-28/h2-21,32,34-37H,22-27H2,1H3,(H,49,50)/t32-,34-,35+,36-,37-,39-/m0/s1
InChIKey DKRPYSHPRXRUKK-XGVQYUNTSA-N
Mol Weight 817.8 g/mol
Molecular Formula C42H41F6NO9
Exact Mass 817.268551 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1MTZLlEXblv
Name N-(2,3,4,6-TETRA-O-BENZYL-BETA-D-GLUCOPYRANOSYL)-2-[(5-S)-5-METHYL-4-OXO-2,2-BIS-(TRIFLUOROMETHYL)-1,3-DIOXOLAN-5-YL]-ACETAMIDE;MINOR_ISOMER
Compound Number 6D-ALPHA
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H41F6NO9
InChI InChI=1S/C42H41F6NO9/c1-39(38(51)57-40(58-39,41(43,44)45)42(46,47)48)22-33(50)49-37-36(55-26-31-20-12-5-13-21-31)35(54-25-30-18-10-4-11-19-30)34(53-24-29-16-8-3-9-17-29)32(56-37)27-52-23-28-14-6-2-7-15-28/h2-21,32,34-37H,22-27H2,1H3,(H,49,50)/t32-,34-,35+,36-,37-,39-/m0/s1
InChIKey DKRPYSHPRXRUKK-XGVQYUNTSA-N
Literature Reference Author C.BOETTCHER,J.SPENGLER,K.BURGER
Literature Reference Citation MH.CHEM.,135,1225(2004)
Literature Reference DOI 10.1007/s00706-004-0187-5
Solvent CDCl3
Source File Reference UWMZ11916