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METHYL-2,3,4-TRI-O-BENZYL-6-(METHYL-(4-O-ACETYL-2,3-DI-O-BENZOYL-BETA-D-GLUCOPYRANOSID)-URONATE)-ALPHA-D-GLUCOPYRANOSIDE
SpectraBase Compound ID KMhPP1DsY00
InChI InChI=1S/C51H52O15/c1-33(52)62-42-43(64-47(53)37-25-15-7-16-26-37)46(65-48(54)38-27-17-8-18-28-38)51(66-44(42)49(55)56-2)61-32-39-40(58-29-34-19-9-4-10-20-34)41(59-30-35-21-11-5-12-22-35)45(50(57-3)63-39)60-31-36-23-13-6-14-24-36/h4-28,39-46,50-51H,29-32H2,1-3H3/t39-,40-,41+,42-,43-,44-,45-,46+,50+,51+/m0/s1
InChIKey RGUFFAZBGIEMRQ-GYTWXVEMSA-N
Mol Weight 905.0 g/mol
Molecular Formula C51H52O15
Exact Mass 904.330621 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2XfoCV1PdP6
Name METHYL-2,3,4-TRI-O-BENZYL-6-(METHYL-(4-O-ACETYL-2,3-DI-O-BENZOYL-BETA-D-GLUCOPYRANOSID)-URONATE)-ALPHA-D-GLUCOPYRANOSIDE
Compound Number 43
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C51H52O15
InChI InChI=1S/C51H52O15/c1-33(52)62-42-43(64-47(53)37-25-15-7-16-26-37)46(65-48(54)38-27-17-8-18-28-38)51(66-44(42)49(55)56-2)61-32-39-40(58-29-34-19-9-4-10-20-34)41(59-30-35-21-11-5-12-22-35)45(50(57-3)63-39)60-31-36-23-13-6-14-24-36/h4-28,39-46,50-51H,29-32H2,1-3H3/t39-,40-,41+,42-,43-,44-,45-,46+,50+,51+/m0/s1
InChIKey RGUFFAZBGIEMRQ-GYTWXVEMSA-N
Literature Reference Author L.J.V.D.BOS,J.D.C.CODEE,J.C.V.D.TOORN,T.J.BOLTJE,J.H.V.BOOM, H.S.OVERKLEEFT,G.A.V
Literature Reference Citation ORG.LETTERS,6,2165(2004)
Literature Reference DOI 10.1021/ol049380+
Molecular Weight 904.965 g/mol
Sample ID 38905
Solvent CDCl3