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METHYL_6-O-(2-ACETAMIDO-3,4,6-TRI-O-ACETYL-2-DEOXY-BETA-D-GLUCOPYRANOSYL)-2,3,4-TRI-O-BENZYL-ALPHA-D-GLUCOPYRANOSIDE
SpectraBase Compound ID 5mwSg9rsVil
InChI InChI=1S/C42H51NO14/c1-26(44)43-35-38(55-29(4)47)37(54-28(3)46)34(24-49-27(2)45)56-41(35)53-25-33-36(50-21-30-15-9-6-10-16-30)39(51-22-31-17-11-7-12-18-31)40(42(48-5)57-33)52-23-32-19-13-8-14-20-32/h6-20,33-42H,21-25H2,1-5H3,(H,43,44)/t33-,34+,35+,36-,37+,38+,39+,40-,41+,42+/m0/s1
InChIKey VAAWWQPZGXLBBY-PZZMQPSTSA-N
Mol Weight 793.9 g/mol
Molecular Formula C42H51NO14
Exact Mass 793.330955 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J0jdJCp9ipY
Name METHYL_6-O-(2-ACETAMIDO-3,4,6-TRI-O-ACETYL-2-DEOXY-BETA-D-GLUCOPYRANOSYL)-2,3,4-TRI-O-BENZYL-ALPHA-D-GLUCOPYRANOSIDE
Compound Number 15
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H51NO14
InChI InChI=1S/C42H51NO14/c1-26(44)43-35-38(55-29(4)47)37(54-28(3)46)34(24-49-27(2)45)56-41(35)53-25-33-36(50-21-30-15-9-6-10-16-30)39(51-22-31-17-11-7-12-18-31)40(42(48-5)57-33)52-23-32-19-13-8-14-20-32/h6-20,33-42H,21-25H2,1-5H3,(H,43,44)/t33-,34+,35+,36-,37+,38+,39+,40-,41+,42+/m0/s1
InChIKey VAAWWQPZGXLBBY-PZZMQPSTSA-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 793.865 g/mol
Sample ID 26067
Solvent CDCl3