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4,5-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 Lycxd2afHFM
InChI InChI=1S/C50H78N8O22/c1-59-9-15-67-29-73-43-41(79-49(65-7)47(77-33-71-19-13-63-5)45(43)75-31-69-17-11-61-3)27-57-25-39(53-55-57)37-21-35(23-51)36(24-52)22-38(37)40-26-58(56-54-40)28-42-44(74-30-68-16-10-60-2)46(76-32-70-18-12-62-4)48(50(66-8)80-42)78-34-72-20-14-64-6/h21-22,25-26,41-50H,9-20,27-34H2,1-8H3/t41-,42-,43-,44-,45+,46+,47-,48-,49-,50-/m1/s1
InChIKey LIEKXNJSQQGQSK-OBXPKUPVSA-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 9U9SeLtqA0f
Name 4,5-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 7A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C50H78N8O22
InChI InChI=1S/C50H78N8O22/c1-59-9-15-67-29-73-43-41(79-49(65-7)47(77-33-71-19-13-63-5)45(43)75-31-69-17-11-61-3)27-57-25-39(53-55-57)37-21-35(23-51)36(24-52)22-38(37)40-26-58(56-54-40)28-42-44(74-30-68-16-10-60-2)46(76-32-70-18-12-62-4)48(50(66-8)80-42)78-34-72-20-14-64-6/h21-22,25-26,41-50H,9-20,27-34H2,1-8H3/t41-,42-,43-,44-,45+,46+,47-,48-,49-,50-/m1/s1
InChIKey LIEKXNJSQQGQSK-OBXPKUPVSA-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 UWPA5212