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1-[5'-O-(4,4'-DIMETHOXYTRITYL)-2'-DEOXY-BETA-D-ERYTHRO-PENTAFURANOSYL]-7-NITRO-4-(2,4,6-TRIMETHYLPHENOXY)-1H-IMIDAZO-[4,5-C]-PYRIDINE

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1-[5'-O-(4,4'-DIMETHOXYTRITYL)-2'-DEOXY-BETA-D-ERYTHRO-PENTAFURANOSYL]-7-NITRO-4-(2,4,6-TRIMETHYLPHENOXY)-1H-IMIDAZO-[4,5-C]-PYRIDINE
SpectraBase Compound ID 5owN5eMkLxZ
InChI InChI=1S/C41H40N4O8/c1-25-19-26(2)39(27(3)20-25)53-40-37-38(33(22-42-40)45(47)48)44(24-43-37)36-21-34(46)35(52-36)23-51-41(28-9-7-6-8-10-28,29-11-15-31(49-4)16-12-29)30-13-17-32(50-5)18-14-30/h6-20,22,24,34-36,46H,21,23H2,1-5H3/t34-,35+,36+/m0/s1
InChIKey YPMQDVPPHOLROC-LIVOIKKVSA-N
Mol Weight 716.8 g/mol
Molecular Formula C41H40N4O8
Exact Mass 716.284614 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LENmTiQkYP2
Name 1-[5'-O-(4,4'-DIMETHOXYTRITYL)-2'-DEOXY-BETA-D-ERYTHRO-PENTAFURANOSYL]-7-NITRO-4-(2,4,6-TRIMETHYLPHENOXY)-1H-IMIDAZO-[4,5-C]-PYRIDINE
Compound Number DMT-5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C41H40N4O8
InChI InChI=1S/C41H40N4O8/c1-25-19-26(2)39(27(3)20-25)53-40-37-38(33(22-42-40)45(47)48)44(24-43-37)36-21-34(46)35(52-36)23-51-41(28-9-7-6-8-10-28,29-11-15-31(49-4)16-12-29)30-13-17-32(50-5)18-14-30/h6-20,22,24,34-36,46H,21,23H2,1-5H3/t34-,35+,36+/m0/s1
InChIKey YPMQDVPPHOLROC-LIVOIKKVSA-N
Literature Reference Author C.CREY-DESBIOLLES,J.LHOMME,P.DUMY,M.KOTERA
Literature Reference Citation J.AM.CHEM.SOC.,126,9532(2004)
Literature Reference DOI 10.1021/ja047976m
Molecular Weight 716.791 g/mol
Solvent CDCl3
Source File Reference UWLU34923