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3,5-BIS-[C-(2,3,4,6-TETRA-O-BENZOYL-BETA-D-GLUCOPYRANOSYL)]-1,2,4-OXADIAZOLE
SpectraBase Compound ID C8AlBMJZBQR
InChI InChI=1S/C70H54N2O19/c73-63(43-25-9-1-10-26-43)81-41-51-53(85-65(75)45-29-13-3-14-30-45)55(87-67(77)47-33-17-5-18-34-47)57(89-69(79)49-37-21-7-22-38-49)59(83-51)61-71-62(91-72-61)60-58(90-70(80)50-39-23-8-24-40-50)56(88-68(78)48-35-19-6-20-36-48)54(86-66(76)46-31-15-4-16-32-46)52(84-60)42-82-64(74)44-27-11-2-12-28-44/h1-40,51-60H,41-42H2/t51-,52+,53-,54+,55+,56-,57-,58+,59-,60+/m0/s1
InChIKey GDIVYHMYJRIBOJ-DGTINSETSA-N
Mol Weight 1227.2 g/mol
Molecular Formula C70H54N2O19
Exact Mass 1226.332078 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3NrLT2ofKbK
Name 3,5-BIS-[C-(2,3,4,6-TETRA-O-BENZOYL-BETA-D-GLUCOPYRANOSYL)]-1,2,4-OXADIAZOLE
Compound Number 8O
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C70H54N2O19
InChI InChI=1S/C70H54N2O19/c73-63(43-25-9-1-10-26-43)81-41-51-53(85-65(75)45-29-13-3-14-30-45)55(87-67(77)47-33-17-5-18-34-47)57(89-69(79)49-37-21-7-22-38-49)59(83-51)61-71-62(91-72-61)60-58(90-70(80)50-39-23-8-24-40-50)56(88-68(78)48-35-19-6-20-36-48)54(86-66(76)46-31-15-4-16-32-46)52(84-60)42-82-64(74)44-27-11-2-12-28-44/h1-40,51-60H,41-42H2/t51-,52+,53-,54+,55+,56-,57-,58+,59-,60+/m0/s1
InChIKey GDIVYHMYJRIBOJ-DGTINSETSA-N
Literature Reference Author M.BENLTIFA,S.VIDAL,B.FENET,M.MSADDEK,P.G.GOEKJIAN,J.P.PRALY, A.BRUNYANSZKI,T.DOCS
Literature Reference Citation EUR.J.ORG.CHEM.,4242(2006)
Molecular Weight 1227.201 g/mol
Sample ID 32885
Solvent CDCl3