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1-[(5S)-4-OXO-2,2-BIS-(TRIFLUOROMETHYL)-1,3-DIOXOLAN-5-YLMETHYL]-3-(2,3,4,6-TETRA-O-BENZYL-BETA-D-MANNOPYRANOSYL)-UREA
SpectraBase Compound ID AuBC9pQ1axY
InChI InChI=1S/C41H40F6N2O9/c42-40(43,44)39(41(45,46)47)57-31(37(50)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)32(56-36)26-52-22-27-13-5-1-6-14-27/h1-20,31-36H,21-26H2,(H2,48,49,51)/t31-,32-,33-,34+,35+,36-/m1/s1
InChIKey NUBUSCVNUXTYEH-KPTSLFCISA-N
Mol Weight 818.8 g/mol
Molecular Formula C41H40F6N2O9
Exact Mass 818.2638 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B61Re75N723
Name 1-[(5S)-4-OXO-2,2-BIS-(TRIFLUOROMETHYL)-1,3-DIOXOLAN-5-YLMETHYL]-3-(2,3,4,6-TETRA-O-BENZYL-BETA-D-MANNOPYRANOSYL)-UREA
Compound Number 6E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C41H40F6N2O9
InChI InChI=1S/C41H40F6N2O9/c42-40(43,44)39(41(45,46)47)57-31(37(50)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)32(56-36)26-52-22-27-13-5-1-6-14-27/h1-20,31-36H,21-26H2,(H2,48,49,51)/t31-,32-,33-,34+,35+,36-/m1/s1
InChIKey NUBUSCVNUXTYEH-KPTSLFCISA-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 818.767 g/mol
Solvent CDCl3
Source File Reference UWSI23592