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5-METHYL-3-C-(2,3,4,6-TETRA-O-BENZOYL-BETA-D-GLUCOPYRANOSYL)-1,2,4-OXADIAZOLE
SpectraBase Compound ID 4ZgivUsTXrJ
InChI InChI=1S/C37H30N2O10/c1-23-38-33(39-49-23)32-31(48-37(43)27-20-12-5-13-21-27)30(47-36(42)26-18-10-4-11-19-26)29(46-35(41)25-16-8-3-9-17-25)28(45-32)22-44-34(40)24-14-6-2-7-15-24/h2-21,28-32H,22H2,1H3/t28-,29-,30+,31-,32-/m0/s1
InChIKey FKCSHTCAWHFZFN-LUKCZKMGSA-N
Mol Weight 662.7 g/mol
Molecular Formula C37H30N2O10
Exact Mass 662.190045 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LLDb3r8EpZY
Name 5-METHYL-3-C-(2,3,4,6-TETRA-O-BENZOYL-BETA-D-GLUCOPYRANOSYL)-1,2,4-OXADIAZOLE
Compound Number 8A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C37H30N2O10
InChI InChI=1S/C37H30N2O10/c1-23-38-33(39-49-23)32-31(48-37(43)27-20-12-5-13-21-27)30(47-36(42)26-18-10-4-11-19-26)29(46-35(41)25-16-8-3-9-17-25)28(45-32)22-44-34(40)24-14-6-2-7-15-24/h2-21,28-32H,22H2,1H3/t28-,29-,30+,31-,32-/m0/s1
InChIKey FKCSHTCAWHFZFN-LUKCZKMGSA-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 662.653 g/mol
Sample ID 32872
Solvent CDCl3