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3-[2'-DEOXY-3',5'-DI-O-(4-TOLUOYL)-BETA-D-ERYTHRO-PENTOFURANOSYL]-4-(METHYLTHIO)-1H-IMIDAZO-[4,5-C]-PYRIDINE
SpectraBase Compound ID C2EKWihj0Ex
InChI InChI=1S/C28H27N3O5S/c1-17-4-8-19(9-5-17)27(32)34-15-23-22(36-28(33)20-10-6-18(2)7-11-20)14-24(35-23)31-16-30-21-12-13-29-26(37-3)25(21)31/h4-13,16,22-24H,14-15H2,1-3H3/t22-,23+,24+/m1/s1
InChIKey CYDCIITWWQPWSR-SGNDLWITSA-N
Mol Weight 517.6 g/mol
Molecular Formula C28H27N3O5S
Exact Mass 517.167142 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9gaMY6VozJc
Name 3-[2'-DEOXY-3',5'-DI-O-(4-TOLUOYL)-BETA-D-ERYTHRO-PENTOFURANOSYL]-4-(METHYLTHIO)-1H-IMIDAZO-[4,5-C]-PYRIDINE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H27N3O5S
InChI InChI=1S/C28H27N3O5S/c1-17-4-8-19(9-5-17)27(32)34-15-23-22(36-28(33)20-10-6-18(2)7-11-20)14-24(35-23)31-16-30-21-12-13-29-26(37-3)25(21)31/h4-13,16,22-24H,14-15H2,1-3H3/t22-,23+,24+/m1/s1
InChIKey CYDCIITWWQPWSR-SGNDLWITSA-N
Literature Reference Author F.SEELA,T.GREIN,S.SAMNICK
Literature Reference Citation HELV.CHIM.ACTA,75,1639(1992)
Literature Reference DOI 10.1002/hlca.19920750519
Molecular Weight 517.599 g/mol
Solvent DMSO-D6
Source File Reference UWCS7723