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7-[2-DEOXY-3,5-DI-O-(4-TOLUOYL)-BETA-D-ERYTHRO-PENTOFURANOSYL]-2-(METHYLTHIO)-7H-PURINE
SpectraBase Compound ID JEiR42vvL06
InChI InChI=1S/C27H30N4O3S/c1-18-4-8-20(9-5-18)14-32-16-24-23(33-15-21-10-6-19(2)7-11-21)12-25(34-24)31-17-29-26-22(31)13-28-27(30-26)35-3/h4-11,13,17,23-25H,12,14-16H2,1-3H3
InChIKey JXHFRQHHCWAOBO-UHFFFAOYSA-N
Mol Weight 490.62 g/mol
Molecular Formula C27H30N4O3S
Exact Mass 490.203862 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B6fU5jcJGO9
Name 7-[2-DEOXY-3,5-DI-O-(4-TOLUOYL)-BETA-D-ERYTHRO-PENTOFURANOSYL]-2-(METHYLTHIO)-7H-PURINE
Compound Number 12A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H30N4O3S
InChI InChI=1S/C27H30N4O3S/c1-18-4-8-20(9-5-18)14-32-16-24-23(33-15-21-10-6-19(2)7-11-21)12-25(34-24)31-17-29-26-22(31)13-28-27(30-26)35-3/h4-11,13,17,23-25H,12,14-16H2,1-3H3
InChIKey JXHFRQHHCWAOBO-UHFFFAOYSA-N
Literature Reference Author F.SEELA,Y.CHEN,U.BINDIG,Z.KAZIMIERCZUK
Literature Reference Citation HELV.CHIM.ACTA,77,194(1994)
Literature Reference DOI 10.1002/hlca.19940770122
Molecular Weight 490.620 g/mol
Solvent DMSO-D6
Source File Reference UWVP5357