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METHYL-2,6'-O-(1,3-XYLYLENE)-(2,3,4-TRI-O-BENZYL-BETA-D-GLUCOPYRANOSYL-(1'->3)-4,6-O-BENZYLIDENE-ALPHA-D-GLUCOPYRANOSIDE
SpectraBase Compound ID 1COVrP7BmIP
InChI InChI=1S/C49H52O11/c1-50-48-46-44(42-40(57-48)32-56-47(59-42)38-23-12-5-13-24-38)60-49-45(54-29-35-19-10-4-11-20-35)43(53-28-34-17-8-3-9-18-34)41(52-27-33-15-6-2-7-16-33)39(58-49)31-51-26-36-21-14-22-37(25-36)30-55-46/h2-25,39-49H,26-32H2,1H3/t39-,40+,41-,42+,43+,44-,45-,46+,47+,48-,49+/m1/s1
InChIKey UGZCOPSWKDTVDY-CCBZGKIMSA-N
Mol Weight 816.9 g/mol
Molecular Formula C49H52O11
Exact Mass 816.350962 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5qUyHYnEQGm
Name METHYL-2,6'-O-(1,3-XYLYLENE)-(2,3,4-TRI-O-BENZYL-BETA-D-GLUCOPYRANOSYL-(1'->3)-4,6-O-BENZYLIDENE-ALPHA-D-GLUCOPYRANOSIDE
Compound Number 16-BETA
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C49H52O11
InChI InChI=1S/C49H52O11/c1-50-48-46-44(42-40(57-48)32-56-47(59-42)38-23-12-5-13-24-38)60-49-45(54-29-35-19-10-4-11-20-35)43(53-28-34-17-8-3-9-18-34)41(52-27-33-15-6-2-7-16-33)39(58-49)31-51-26-36-21-14-22-37(25-36)30-55-46/h2-25,39-49H,26-32H2,1H3/t39-,40+,41-,42+,43+,44-,45-,46+,47+,48-,49+/m1/s1
InChIKey UGZCOPSWKDTVDY-CCBZGKIMSA-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 816.945 g/mol
Sample ID 57851
Solvent CDCl3