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1-[5-OXO-2,2-BIS-(TRIFLUOROMETHYL)-1,3-OXATHIOLAN-4-YLMETHYL]-3-(2,3,4,6-TETRA-O-BENZYL-BETA-D-GLUCOPYRANOSYL)-UREA
SpectraBase Compound ID 7rwuD0nOyRL
InChI InChI=1S/2C41H40F6N2O8S/c2*42-40(43,44)39(41(45,46)47)57-37(50)32(58-39)21-48-38(51)49-36-35(55-25-30-19-11-4-12-20-30)34(54-24-29-17-9-3-10-18-29)33(53-23-28-15-7-2-8-16-28)31(56-36)26-52-22-27-13-5-1-6-14-27/h2*1-20,31-36H,21-26H2,(H2,48,49,51)/t2*31-,32?,33-,34+,35-,36-/m10/s1
InChIKey SGWYWFIDUQPOQL-ZCRMMKNYSA-N
Mol Weight 1669.7 g/mol
Molecular Formula C82H80F12N4O16S2
Exact Mass 1668.481913 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FWhmqalLWtI
Name 1-[5-OXO-2,2-BIS-(TRIFLUOROMETHYL)-1,3-OXATHIOLAN-4-YLMETHYL]-3-(2,3,4,6-TETRA-O-BENZYL-BETA-D-GLUCOPYRANOSYL)-UREA
Compound Number 14
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C82H80F12N4O16S2
InChI InChI=1S/2C41H40F6N2O8S/c2*42-40(43,44)39(41(45,46)47)57-37(50)32(58-39)21-48-38(51)49-36-35(55-25-30-19-11-4-12-20-30)34(54-24-29-17-9-3-10-18-29)33(53-23-28-15-7-2-8-16-28)31(56-36)26-52-22-27-13-5-1-6-14-27/h2*1-20,31-36H,21-26H2,(H2,48,49,51)/t2*31-,32?,33-,34+,35-,36-/m10/s1
InChIKey SGWYWFIDUQPOQL-ZCRMMKNYSA-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
Molecular Weight 1669.655 g/mol
Solvent CDCl3
Source File Reference UWSI23604