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METHYL-3,6'-O-(1,3-XYLYLENE)-(2,3,4-TRI-O-BENZYL-BETA-D-GLUCOPYRANOSYL-(1'->4)-2,6-DI-O-BENZYL-ALPHA-D-GLUCOPYRANOSIDE
SpectraBase Compound ID GwH9Q6mHulR
InChI InChI=1S/C56H60O11/c1-57-55-53(63-35-43-24-13-5-14-25-43)52-50(48(65-55)39-58-31-40-18-7-2-8-19-40)67-56-54(64-36-44-26-15-6-16-27-44)51(61-34-42-22-11-4-12-23-42)49(60-33-41-20-9-3-10-21-41)47(66-56)38-59-32-45-28-17-29-46(30-45)37-62-52/h2-30,47-56H,31-39H2,1H3/t47-,48+,49-,50+,51+,52-,53+,54-,55-,56+/m1/s1
InChIKey YFFOYUBEPLSFPE-RPBKYEOSSA-N
Mol Weight 909.1 g/mol
Molecular Formula C56H60O11
Exact Mass 908.413563 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 201d3YHsqPF
Name METHYL-3,6'-O-(1,3-XYLYLENE)-(2,3,4-TRI-O-BENZYL-BETA-D-GLUCOPYRANOSYL-(1'->4)-2,6-DI-O-BENZYL-ALPHA-D-GLUCOPYRANOSIDE
Compound Number 25-BETA
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C56H60O11
InChI InChI=1S/C56H60O11/c1-57-55-53(63-35-43-24-13-5-14-25-43)52-50(48(65-55)39-58-31-40-18-7-2-8-19-40)67-56-54(64-36-44-26-15-6-16-27-44)51(61-34-42-22-11-4-12-23-42)49(60-33-41-20-9-3-10-21-41)47(66-56)38-59-32-45-28-17-29-46(30-45)37-62-52/h2-30,47-56H,31-39H2,1H3/t47-,48+,49-,50+,51+,52-,53+,54-,55-,56+/m1/s1
InChIKey YFFOYUBEPLSFPE-RPBKYEOSSA-N
Literature Reference Author M.MUELLER,U.HUCHEL,A.GEYER,R.R.SCHMIDT
Literature Reference Citation J.ORG.CHEM.,64,6190(1999)
Literature Reference DOI 10.1021/jo990132e
Molecular Weight 909.086 g/mol
Sample ID 57853
Solvent CDCl3