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3,6-BIS-[1-(6-DEOXY-2,3,4-TRI-O-METHOXYETHOXYMETHYL-1-O-METHYL-BETA-D-GLUCOPYRANOSE-6-YL)-1H-1,2,3-TRIAZOLE-4-YL]-PHTHALONITRILE
SpectraBase Compound ID BGGUvkByIO
InChI InChI=1S/C50H78N8O22/c1-59-11-17-67-29-73-43-41(79-49(65-7)47(77-33-71-21-15-63-5)45(43)75-31-69-19-13-61-3)27-57-25-39(53-55-57)35-9-10-36(38(24-52)37(35)23-51)40-26-58(56-54-40)28-42-44(74-30-68-18-12-60-2)46(76-32-70-20-14-62-4)48(50(66-8)80-42)78-34-72-22-16-64-6/h9-10,25-26,41-50H,11-22,27-34H2,1-8H3/t41-,42+,43-,44+,45+,46-,47-,48+,49-,50+
InChIKey ISXILGQNRQYILN-ANBQWIHISA-N
Mol Weight 1143.2 g/mol
Molecular Formula C50H78N8O22
Exact Mass 1142.523066 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID wiuoxiq9lX
Name 3,6-BIS-[1-(6-DEOXY-2,3,4-TRI-O-METHOXYETHOXYMETHYL-1-O-METHYL-BETA-D-GLUCOPYRANOSE-6-YL)-1H-1,2,3-TRIAZOLE-4-YL]-PHTHALONITRILE
Compound Number 7B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C50H78N8O22
InChI InChI=1S/C50H78N8O22/c1-59-11-17-67-29-73-43-41(79-49(65-7)47(77-33-71-21-15-63-5)45(43)75-31-69-19-13-61-3)27-57-25-39(53-55-57)35-9-10-36(38(24-52)37(35)23-51)40-26-58(56-54-40)28-42-44(74-30-68-18-12-60-2)46(76-32-70-20-14-62-4)48(50(66-8)80-42)78-34-72-22-16-64-6/h9-10,25-26,41-50H,11-22,27-34H2,1-8H3/t41-,42+,43-,44+,45+,46-,47-,48+,49-,50+
InChIKey ISXILGQNRQYILN-ANBQWIHISA-N
Literature Reference Author F.BAECHLE,M.HANACK,T.ZIEGLER
Literature Reference Citation MOLECULES,20,18367(2015)
Literature Reference DOI 10.3390/molecules201018367
Molecular Weight 1143.210 g/mol
Solvent CDCl3
Source File Reference UWPA5213