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1-[(5S)-4-OXO-2,2-BIS-(TRIFLUOROMETHYL)-1,3-DIOXOLAN-5-YLMETHYL]-3-(3,4,6-TRI-O-BENZYL-2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSYL)-UREA

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1-[(5S)-4-OXO-2,2-BIS-(TRIFLUOROMETHYL)-1,3-DIOXOLAN-5-YLMETHYL]-3-(3,4,6-TRI-O-BENZYL-2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSYL)-UREA
SpectraBase Compound ID 7tWW8ldslmT
InChI InChI=1S/C36H37F6N3O9/c1-22(46)44-28-30(51-20-25-15-9-4-10-16-25)29(50-19-24-13-7-3-8-14-24)27(21-49-18-23-11-5-2-6-12-23)52-31(28)45-33(48)43-17-26-32(47)54-34(53-26,35(37,38)39)36(40,41)42/h2-16,26-31H,17-21H2,1H3,(H,44,46)(H2,43,45,48)/t26-,27-,28-,29-,30-,31-/m1/s1
InChIKey GCABOEKLIAXLOR-WFSCRAEGSA-N
Mol Weight 769.7 g/mol
Molecular Formula C36H37F6N3O9
Exact Mass 769.243399 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HNyqUimH9Xb
Name 1-[(5S)-4-OXO-2,2-BIS-(TRIFLUOROMETHYL)-1,3-DIOXOLAN-5-YLMETHYL]-3-(3,4,6-TRI-O-BENZYL-2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSYL)-UREA
Compound Number 6F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H37F6N3O9
InChI InChI=1S/C36H37F6N3O9/c1-22(46)44-28-30(51-20-25-15-9-4-10-16-25)29(50-19-24-13-7-3-8-14-24)27(21-49-18-23-11-5-2-6-12-23)52-31(28)45-33(48)43-17-26-32(47)54-34(53-26,35(37,38)39)36(40,41)42/h2-16,26-31H,17-21H2,1H3,(H,44,46)(H2,43,45,48)/t26-,27-,28-,29-,30-,31-/m1/s1
InChIKey GCABOEKLIAXLOR-WFSCRAEGSA-N
Literature Reference Author C.BOETTCHER,J.SPENGLER,L.HENNIG,F.ALBERICIO,K.BURGER
Literature Reference Citation MH.CHEM.,136,577(2005)
Literature Reference DOI 10.1007/s00706-004-0248-9
Solvent DMSO-D6
Source File Reference UWSI23594