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5-FLUORO-4-(FURAN-2-YL)-7-(2,3,5-TRI-O-BENZOYL-BETA-D-RIBOFURANOSYL)-7-H-PYRROLO-[2.3-D]-PYRIMIDINE
SpectraBase Compound ID AXNDJr7DKM3
InChI InChI=1S/C36H26FN3O8/c37-25-19-40(32-28(25)29(38-21-39-32)26-17-10-18-44-26)33-31(48-36(43)24-15-8-3-9-16-24)30(47-35(42)23-13-6-2-7-14-23)27(46-33)20-45-34(41)22-11-4-1-5-12-22/h1-19,21,27,30-31,33H,20H2/t27-,30-,31-,33-/m1/s1
InChIKey GIXLYOCABNZSSG-UGUWQOMFSA-N
Mol Weight 647.6 g/mol
Molecular Formula C36H26FN3O8
Exact Mass 647.170393 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8gD2IekBV8D
Name 5-FLUORO-4-(FURAN-2-YL)-7-(2,3,5-TRI-O-BENZOYL-BETA-D-RIBOFURANOSYL)-7-H-PYRROLO-[2.3-D]-PYRIMIDINE
Compound Number 13H
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H26FN3O8
InChI InChI=1S/C36H26FN3O8/c37-25-19-40(32-28(25)29(38-21-39-32)26-17-10-18-44-26)33-31(48-36(43)24-15-8-3-9-16-24)30(47-35(42)23-13-6-2-7-14-23)27(46-33)20-45-34(41)22-11-4-1-5-12-22/h1-19,21,27,30-31,33H,20H2/t27-,30-,31-,33-/m1/s1
InChIKey GIXLYOCABNZSSG-UGUWQOMFSA-N
Literature Reference Author P.NAUS,R.POHL,I.VOTRUBA,P.DZUBAK,M.HAJDUCH,R.AMERAL,G.BIRKUS ,T.WANG,A.S.RAY,R.MA
Literature Reference Citation J.MED.CHEM.,53,460(2010)
Literature Reference DOI 10.1021/jm901428k
Solvent CDCl3
Source File Reference UWMZ45184