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METHYL_2-ACETAMIDO-4,6-O-BENZYLIDENE-2-DEOXY-3-O-[3,4,6-TRI-O-ACETYL-2-DEOXY-2-(2,5-DIMETHYLPYRROL-1-YL)-BETA-D-GLUCOPYRANOSYL]-BETA-D-GLUCOPYRANO
SpectraBase Compound ID 9h8UAsnL9mx
InChI InChI=1S/C34H44N2O13/c1-17-13-14-18(2)36(17)27-31(45-22(6)40)29(44-21(5)39)24(15-42-20(4)38)47-34(27)49-30-26(35-19(3)37)33(41-7)46-25-16-43-32(48-28(25)30)23-11-9-8-10-12-23/h8-14,24-34H,15-16H2,1-7H3,(H,35,37)/t24-,25+,26+,27-,28+,29-,30+,31-,32+,33+,34+/m0/s1
InChIKey XGZFXGLNZVAGNU-YEBXXDKDSA-N
Mol Weight 688.7 g/mol
Molecular Formula C34H44N2O13
Exact Mass 688.284339 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I9r701xXk4l
Name METHYL_2-ACETAMIDO-4,6-O-BENZYLIDENE-2-DEOXY-3-O-[3,4,6-TRI-O-ACETYL-2-DEOXY-2-(2,5-DIMETHYLPYRROL-1-YL)-BETA-D-GLUCOPYRANOSYL]-BETA-D-GLUCOPYRANO
Compound Number 16
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C34H44N2O13
InChI InChI=1S/C34H44N2O13/c1-17-13-14-18(2)36(17)27-31(45-22(6)40)29(44-21(5)39)24(15-42-20(4)38)47-34(27)49-30-26(35-19(3)37)33(41-7)46-25-16-43-32(48-28(25)30)23-11-9-8-10-12-23/h8-14,24-34H,15-16H2,1-7H3,(H,35,37)/t24-,25+,26+,27-,28+,29-,30+,31-,32+,33+,34+/m0/s1
InChIKey XGZFXGLNZVAGNU-YEBXXDKDSA-N
Literature Reference Author S.G.BOWERS,D.M.COE,G.J.BOONS
Literature Reference Citation J.ORG.CHEM.,63,4570(1998)
Literature Reference DOI 10.1021/jo9808728
Molecular Weight 688.729 g/mol
Sample ID 26070
Solvent CDCl3