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4-O-(2-ACETAMIDO-3,4,6-TRI-O-BENZOYL-2-DEOXY-BETA-D-MANNOPYRANOSYL)-2,3,6-TRI-O-BENZYL-ALPHA-D-GLUCOPYRANOSYL-FLUORIDE
SpectraBase Compound ID BiJjn92cOVg
InChI InChI=1S/C56H54FNO13/c1-37(59)58-46-49(70-55(62)43-30-18-7-19-31-43)47(69-54(61)42-28-16-6-17-29-42)45(36-66-53(60)41-26-14-5-15-27-41)68-56(46)71-48-44(35-63-32-38-20-8-2-9-21-38)67-52(57)51(65-34-40-24-12-4-13-25-40)50(48)64-33-39-22-10-3-11-23-39/h2-31,44-52,56H,32-36H2,1H3,(H,58,59)/t44-,45-,46+,47-,48-,49-,50+,51-,52+,56+/m0/s1
InChIKey DNJXEIXAYXXPNF-QRFGCGITSA-N
Mol Weight 968.0 g/mol
Molecular Formula C56H54FNO13
Exact Mass 967.357919 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2L4bVIUq3ow
Name 4-O-(2-ACETAMIDO-3,4,6-TRI-O-BENZOYL-2-DEOXY-BETA-D-MANNOPYRANOSYL)-2,3,6-TRI-O-BENZYL-ALPHA-D-GLUCOPYRANOSYL-FLUORIDE
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C56H54FNO13
InChI InChI=1S/C56H54FNO13/c1-37(59)58-46-49(70-55(62)43-30-18-7-19-31-43)47(69-54(61)42-28-16-6-17-29-42)45(36-66-53(60)41-26-14-5-15-27-41)68-56(46)71-48-44(35-63-32-38-20-8-2-9-21-38)67-52(57)51(65-34-40-24-12-4-13-25-40)50(48)64-33-39-22-10-3-11-23-39/h2-31,44-52,56H,32-36H2,1H3,(H,58,59)/t44-,45-,46+,47-,48-,49-,50+,51-,52+,56+/m0/s1
InChIKey DNJXEIXAYXXPNF-QRFGCGITSA-N
Literature Reference Author E.KAJI,Y.OSA,M.TANAIKE,Y.HOSOKAWA,H.TAKAYANAGI,A.TAKADA
Literature Reference Citation CHEM.PHARM.BULL.,44,437(1996)
Literature Reference DOI 10.1248/cpb.44.437
Molecular Weight 968.042 g/mol
Solvent CDCl3
Source File Reference UWLU31450