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3,4-BIS-(METHOXYCARBONYL)-1-(2,3,4,6-TETRA-O-BENZOYL-BETA-D-GLUCOPYRANOSYL)-1H-1,2,3-TRIAZOLE
SpectraBase Compound ID 5CJrMeFs9If
InChI InChI=1S/C40H33N3O13/c1-50-39(48)29-30(40(49)51-2)43(42-41-29)34-33(56-38(47)27-21-13-6-14-22-27)32(55-37(46)26-19-11-5-12-20-26)31(54-36(45)25-17-9-4-10-18-25)28(53-34)23-52-35(44)24-15-7-3-8-16-24/h3-22,28,31-34H,23H2,1-2H3/t28-,31-,32+,33-,34-/m0/s1
InChIKey BZGWNCHTTBRXQN-LDGVGMJOSA-N
Mol Weight 763.7 g/mol
Molecular Formula C40H33N3O13
Exact Mass 763.201338 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1TAdbp9j5Jh
Name 3,4-BIS-(METHOXYCARBONYL)-1-(2,3,4,6-TETRA-O-BENZOYL-BETA-D-GLUCOPYRANOSYL)-1H-1,2,3-TRIAZOLE
Compound Number 24
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H33N3O13
InChI InChI=1S/C40H33N3O13/c1-50-39(48)29-30(40(49)51-2)43(42-41-29)34-33(56-38(47)27-21-13-6-14-22-27)32(55-37(46)26-19-11-5-12-20-26)31(54-36(45)25-17-9-4-10-18-25)28(53-34)23-52-35(44)24-15-7-3-8-16-24/h3-22,28,31-34H,23H2,1-2H3/t28-,31-,32+,33-,34-/m0/s1
InChIKey BZGWNCHTTBRXQN-LDGVGMJOSA-N
Literature Reference Author J.A.WATT,C.T.GANNON,K.J.LOFT,Z.DINEV,S.J.WILLIAMS
Literature Reference Citation AUSTR.J.CHEM.,61,837(2008)
Literature Reference DOI 10.1071/ch08364
Molecular Weight 763.714 g/mol
Sample ID 52757
Solvent CDCl3