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1-(2',3',4',6'-TETRA-O-ACETYL-ALPHA-D-MANNOPYRANOSYLOXYETHYL)-4-(2'',3'',4'',6''-TETRA-O-ACETYL-ALPHA-D-MANNOPYRANOSYLTHIOMETHYL)-1H-[1,2,3]-TRIAZOL

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1-(2',3',4',6'-TETRA-O-ACETYL-ALPHA-D-MANNOPYRANOSYLOXYETHYL)-4-(2'',3'',4'',6''-TETRA-O-ACETYL-ALPHA-D-MANNOPYRANOSYLTHIOMETHYL)-1H-[1,2,3]-TRIAZOL
SpectraBase Compound ID 58IJ15gtZUq
InChI InChI=1S/C33H45N3O19S/c1-15(37)46-12-24-26(48-17(3)39)28(50-19(5)41)30(52-21(7)43)32(54-24)45-10-9-36-11-23(34-35-36)14-56-33-31(53-22(8)44)29(51-20(6)42)27(49-18(4)40)25(55-33)13-47-16(2)38/h11,24-33H,9-10,12-14H2,1-8H3/t24-,25-,26-,27-,28+,29+,30+,31+,32+,33-/m1/s1
InChIKey ANMVNAIXJDBGRH-PCQMGLOHSA-N
Mol Weight 819.8 g/mol
Molecular Formula C33H45N3O19S
Exact Mass 819.236797 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9MvWu9AsKut
Name 1-(2',3',4',6'-TETRA-O-ACETYL-ALPHA-D-MANNOPYRANOSYLOXYETHYL)-4-(2'',3'',4'',6''-TETRA-O-ACETYL-ALPHA-D-MANNOPYRANOSYLTHIOMETHYL)-1H-[1,2,3]-TRIAZOL
Compound Number 3B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C33H45N3O19S
InChI InChI=1S/C33H45N3O19S/c1-15(37)46-12-24-26(48-17(3)39)28(50-19(5)41)30(52-21(7)43)32(54-24)45-10-9-36-11-23(34-35-36)14-56-33-31(53-22(8)44)29(51-20(6)42)27(49-18(4)40)25(55-33)13-47-16(2)38/h11,24-33H,9-10,12-14H2,1-8H3/t24-,25-,26-,27-,28+,29+,30+,31+,32+,33-/m1/s1
InChIKey ANMVNAIXJDBGRH-PCQMGLOHSA-N
Literature Reference Author F.PEREZ-BALDERAS,M.ORTEGA-MUNOZ,J.MORALES-SANFRUTOS,F.HERNAN DEZ-MATEO,F.G.CALVO-
Literature Reference Citation ORG.LETTERS,5,1951(2003)
Literature Reference DOI 10.1021/ol034534r
Molecular Weight 819.789 g/mol
Sample ID 33843
Solvent CDCl3