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#7B;ETHYL-3,4,6-TRI-O-BENZYL-2-O-[(6-O-BENZYL-2-DEOXY-1-PHENYLTHIO-2-TRIFLUOROACETAMIDO-BETA-D-GLUCOPYRANOS-3-YLOXY)-2-CARBONYLBENZYL]-1-THIO-BETA-D-GLUCOPYRAN
SpectraBase Compound ID BSNimDIj6tW
InChI InChI=1S/C58H60F3NO11S2/c1-2-74-56-53(52(69-35-42-26-14-6-15-27-42)50(68-34-41-24-12-5-13-25-41)47(72-56)38-67-33-40-22-10-4-11-23-40)70-36-43-28-18-19-31-45(43)54(64)73-51-48(62-57(65)58(59,60)61)55(75-44-29-16-7-17-30-44)71-46(49(51)63)37-66-32-39-20-8-3-9-21-39/h3-31,46-53,55-56,63H,2,32-38H2,1H3,(H,62,65)/t46-,47-,48-,49-,50-,51-,52+,53-,55+,56+/m1/s1
InChIKey AWPPXONDBPKFOC-IFZNMDKDSA-N
Mol Weight 1068.2 g/mol
Molecular Formula C58H60F3NO11S2
Exact Mass 1067.355989 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JqUQ1S8nRT1
Name #7B;ETHYL-3,4,6-TRI-O-BENZYL-2-O-[(6-O-BENZYL-2-DEOXY-1-PHENYLTHIO-2-TRIFLUOROACETAMIDO-BETA-D-GLUCOPYRANOS-3-YLOXY)-2-CARBONYLBENZYL]-1-THIO-BETA-D-GLUCOPYRAN
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C58H60F3NO11S2
InChI InChI=1S/C58H60F3NO11S2/c1-2-74-56-53(52(69-35-42-26-14-6-15-27-42)50(68-34-41-24-12-5-13-25-41)47(72-56)38-67-33-40-22-10-4-11-23-40)70-36-43-28-18-19-31-45(43)54(64)73-51-48(62-57(65)58(59,60)61)55(75-44-29-16-7-17-30-44)71-46(49(51)63)37-66-32-39-20-8-3-9-21-39/h3-31,46-53,55-56,63H,2,32-38H2,1H3,(H,62,65)/t46-,47-,48-,49-,50-,51-,52+,53-,55+,56+/m1/s1
InChIKey AWPPXONDBPKFOC-IFZNMDKDSA-N
Literature Reference Author G.LEMANSKI,T.ZIEGLER
Literature Reference Citation EUR.J.ORG.CHEM.,2618(2006)
Molecular Weight 1068.230 g/mol
Sample ID 43707
Solvent CDCl3