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N-(2,3,4,6-TETRA-O-BENZYL-BETA-D-GLUCOPYRANOSYL)-2-[(5-S)-4-OXO-2,2-BIS-(TRIFLUOROMETHYL)-1,3-DIOXOLAN-5-YL]-ACETAMIDE
SpectraBase Compound ID 20ujZeQ2qVA
InChI InChI=1S/C41H39F6NO9/c42-40(43,44)39(41(45,46)47)56-31(38(50)57-39)21-33(49)48-37-36(54-25-30-19-11-4-12-20-30)35(53-24-29-17-9-3-10-18-29)34(52-23-28-15-7-2-8-16-28)32(55-37)26-51-22-27-13-5-1-6-14-27/h1-20,31-32,34-37H,21-26H2,(H,48,49)/t31-,32+,34+,35-,36+,37+/m0/s1
InChIKey YTOSNQJYPDZVAF-AFYLJSKESA-N
Mol Weight 803.8 g/mol
Molecular Formula C41H39F6NO9
Exact Mass 803.252901 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 39fTQoCBf8x
Name N-(2,3,4,6-TETRA-O-BENZYL-BETA-D-GLUCOPYRANOSYL)-2-[(5-S)-4-OXO-2,2-BIS-(TRIFLUOROMETHYL)-1,3-DIOXOLAN-5-YL]-ACETAMIDE
Compound Number 6C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C41H39F6NO9
InChI InChI=1S/C41H39F6NO9/c42-40(43,44)39(41(45,46)47)56-31(38(50)57-39)21-33(49)48-37-36(54-25-30-19-11-4-12-20-30)35(53-24-29-17-9-3-10-18-29)34(52-23-28-15-7-2-8-16-28)32(55-37)26-51-22-27-13-5-1-6-14-27/h1-20,31-32,34-37H,21-26H2,(H,48,49)/t31-,32+,34+,35-,36+,37+/m0/s1
InChIKey YTOSNQJYPDZVAF-AFYLJSKESA-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
Molecular Weight 803.752 g/mol
Solvent CDCl3
Source File Reference UWMZ11914