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METHYL_3-O-[3,4,6-TRI-O-ACETYL-2-DEOXY-2-(2,5-DIMETHYLPYRROL-1-YL)-BETA-D-GLUCOPYRANOSYL]-4,6-O-BENZYLIDENE-2-DEOXY-2-PHTHALIMIDO-BETA-D-GLUCOPYRA
SpectraBase Compound ID 6XGKCj1qTf5
InChI InChI=1S/C40H44N2O14/c1-20-16-17-21(2)41(20)31-34(52-24(5)45)32(51-23(4)44)28(18-49-22(3)43)54-40(31)56-35-30(42-36(46)26-14-10-11-15-27(26)37(42)47)39(48-6)53-29-19-50-38(55-33(29)35)25-12-8-7-9-13-25/h7-17,28-35,38-40H,18-19H2,1-6H3/t28-,29+,30+,31-,32-,33+,34-,35+,38+,39+,40+/m1/s1
InChIKey KGRREPBLVFYMLS-AKPHXKCXSA-N
Mol Weight 776.8 g/mol
Molecular Formula C40H44N2O14
Exact Mass 776.279254 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6InvuOQmZHq
Name METHYL_3-O-[3,4,6-TRI-O-ACETYL-2-DEOXY-2-(2,5-DIMETHYLPYRROL-1-YL)-BETA-D-GLUCOPYRANOSYL]-4,6-O-BENZYLIDENE-2-DEOXY-2-PHTHALIMIDO-BETA-D-GLUCOPYRA
Compound Number 10
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H44N2O14
InChI InChI=1S/C40H44N2O14/c1-20-16-17-21(2)41(20)31-34(52-24(5)45)32(51-23(4)44)28(18-49-22(3)43)54-40(31)56-35-30(42-36(46)26-14-10-11-15-27(26)37(42)47)39(48-6)53-29-19-50-38(55-33(29)35)25-12-8-7-9-13-25/h7-17,28-35,38-40H,18-19H2,1-6H3/t28-,29+,30+,31-,32-,33+,34-,35+,38+,39+,40+/m1/s1
InChIKey KGRREPBLVFYMLS-AKPHXKCXSA-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 776.794 g/mol
Sample ID 26069
Solvent CDCl3