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METHYL_2,3,4-TRI-O-BENZYL-6-O-[4,6-O-BENZYLIDENE-2-DEOXY-2-(2,5-DIMETHYLPYRROL-1-YL)-BETA-D-GLUCOPYRANOSYL]-ALPHA-D-GLUCOPYRANOSIDE
SpectraBase Compound ID A3PJpo2BOGa
InChI InChI=1S/C47H53NO10/c1-31-24-25-32(2)48(31)39-40(49)41-37(29-54-45(58-41)36-22-14-7-15-23-36)56-46(39)55-30-38-42(51-26-33-16-8-4-9-17-33)43(52-27-34-18-10-5-11-19-34)44(47(50-3)57-38)53-28-35-20-12-6-13-21-35/h4-25,37-47,49H,26-30H2,1-3H3/t37-,38+,39-,40-,41-,42+,43-,44+,45-,46-,47-/m1/s1
InChIKey FDOMKJYUHYZGAD-YOBTZPNFSA-N
Mol Weight 791.9 g/mol
Molecular Formula C47H53NO10
Exact Mass 791.366947 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3iVPQ8Fl6ZE
Name METHYL_2,3,4-TRI-O-BENZYL-6-O-[4,6-O-BENZYLIDENE-2-DEOXY-2-(2,5-DIMETHYLPYRROL-1-YL)-BETA-D-GLUCOPYRANOSYL]-ALPHA-D-GLUCOPYRANOSIDE
Compound Number 14
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C47H53NO10
InChI InChI=1S/C47H53NO10/c1-31-24-25-32(2)48(31)39-40(49)41-37(29-54-45(58-41)36-22-14-7-15-23-36)56-46(39)55-30-38-42(51-26-33-16-8-4-9-17-33)43(52-27-34-18-10-5-11-19-34)44(47(50-3)57-38)53-28-35-20-12-6-13-21-35/h4-25,37-47,49H,26-30H2,1-3H3/t37-,38+,39-,40-,41-,42+,43-,44+,45-,46-,47-/m1/s1
InChIKey FDOMKJYUHYZGAD-YOBTZPNFSA-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 791.939 g/mol
Sample ID 26073
Solvent CDCl3