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BENZYL-O-(2,3,6-TRI-O-BENZOYL-4-DEOXY-4-FLUORO-BETA-D-GLUCOPYRANOSYL)-(1->3)-2-ACETAMIDO-4,6-DI-O-ACETYL-2-DEOXY-BETA-D-GALACTOPYRANOSIDE
SpectraBase Compound ID I7Hcxio7sY0
InChI InChI=1S/C46H46FNO15/c1-27(49)48-37-40(38(58-29(3)51)35(26-55-28(2)50)60-45(37)57-24-30-16-8-4-9-17-30)63-46-41(62-44(54)33-22-14-7-15-23-33)39(61-43(53)32-20-12-6-13-21-32)36(47)34(59-46)25-56-42(52)31-18-10-5-11-19-31/h4-23,34-41,45-46H,24-26H2,1-3H3,(H,48,49)/t34-,35-,36-,37-,38+,39+,40-,41-,45-,46+/m1/s1
InChIKey JQOHFZNENOKALQ-CYKJICISSA-N
Mol Weight 871.9 g/mol
Molecular Formula C46H46FNO15
Exact Mass 871.285148 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K2b2yxMieiT
Name BENZYL-O-(2,3,6-TRI-O-BENZOYL-4-DEOXY-4-FLUORO-BETA-D-GLUCOPYRANOSYL)-(1->3)-2-ACETAMIDO-4,6-DI-O-ACETYL-2-DEOXY-BETA-D-GALACTOPYRANOSIDE
Compound Number 31
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C46H46FNO15
InChI InChI=1S/C46H46FNO15/c1-27(49)48-37-40(38(58-29(3)51)35(26-55-28(2)50)60-45(37)57-24-30-16-8-4-9-17-30)63-46-41(62-44(54)33-22-14-7-15-23-33)39(61-43(53)32-20-12-6-13-21-32)36(47)34(59-46)25-56-42(52)31-18-10-5-11-19-31/h4-23,34-41,45-46H,24-26H2,1-3H3,(H,48,49)/t34-,35-,36-,37-,38+,39+,40-,41-,45-,46+/m1/s1
InChIKey JQOHFZNENOKALQ-CYKJICISSA-N
Literature Reference Author C.S.RYE,S.G.WITHERS
Literature Reference Citation J.AM.CHEM.SOC.,124,9756(2002)
Literature Reference DOI 10.1021/ja020627c
Molecular Weight 871.867 g/mol
Sample ID 34109
Solvent CDCl3