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(2-R,3-R,4-R,5-R)-2-(BENZOYLOXYMETHYL)-5-(7-CHLORO-5-(HEXYLTHIO)-3-H-[1.2.3]-TRIAZOLO-[4.5-D]-PYRIMIDIN-3-YL)-TETRAHYDROFURAN-3,4-DIOL_DIBENZOATE

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(2-R,3-R,4-R,5-R)-2-(BENZOYLOXYMETHYL)-5-(7-CHLORO-5-(HEXYLTHIO)-3-H-[1.2.3]-TRIAZOLO-[4.5-D]-PYRIMIDIN-3-YL)-TETRAHYDROFURAN-3,4-DIOL_DIBENZOATE
SpectraBase Compound ID FiyqsiRqcrS
InChI InChI=1S/C36H34ClN5O7S/c1-2-3-4-14-21-50-36-38-30(37)27-31(39-36)42(41-40-27)32-29(49-35(45)25-19-12-7-13-20-25)28(48-34(44)24-17-10-6-11-18-24)26(47-32)22-46-33(43)23-15-8-5-9-16-23/h5-13,15-20,26,28-29,32H,2-4,14,21-22H2,1H3
InChIKey WRBOJSNUILRJHI-UHFFFAOYSA-N
Mol Weight 716.2 g/mol
Molecular Formula C36H34ClN5O7S
Exact Mass 715.186747 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5DimWGMjVtj
Name (2-R,3-R,4-R,5-R)-2-(BENZOYLOXYMETHYL)-5-(7-CHLORO-5-(HEXYLTHIO)-3-H-[1.2.3]-TRIAZOLO-[4.5-D]-PYRIMIDIN-3-YL)-TETRAHYDROFURAN-3,4-DIOL_DIBENZOATE
Compound Number 44
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H34ClN5O7S
InChI InChI=1S/C36H34ClN5O7S/c1-2-3-4-14-21-50-36-38-30(37)27-31(39-36)42(41-40-27)32-29(49-35(45)25-19-12-7-13-20-25)28(48-34(44)24-17-10-6-11-18-24)26(47-32)22-46-33(43)23-15-8-5-9-16-23/h5-13,15-20,26,28-29,32H,2-4,14,21-22H2,1H3
InChIKey WRBOJSNUILRJHI-UHFFFAOYSA-N
Literature Reference Author I.GILLERMAN,B.FISCHER
Literature Reference Citation J.MED.CHEM.,54,107(2011)
Literature Reference DOI 10.1021/jm101286g
Molecular Weight 716.208 g/mol
Solvent CDCl3
Source File Reference UWMZ47126