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1-[3-O-BENZYL-5-O-(METHYLSULFONYL)-4-C-(METHYLSULFONYLOXYMETHYL)-ALPHA-L-THREO-PENTOFURANOSYL]-THYMINE
SpectraBase Compound ID GAncSovcH5z
InChI InChI=1S/C20H26N2O10S2/c1-14-9-22(13-21-18(14)24)19-16(23)17(29-10-15-7-5-4-6-8-15)20(32-19,11-30-33(2,25)26)12-31-34(3,27)28/h4-9,13,16-17,19,23H,10-12H2,1-3H3/t16-,17-,19-/m0/s1
InChIKey YFWQIYXQXKRHAM-LNLFQRSKSA-N
Mol Weight 518.55 g/mol
Molecular Formula C20H26N2O10S2
Exact Mass 518.102887 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Bnkq0bU3w3A
Name 1-[3-O-BENZYL-5-O-(METHYLSULFONYL)-4-C-(METHYLSULFONYLOXYMETHYL)-ALPHA-L-THREO-PENTOFURANOSYL]-THYMINE
Compound Number 20
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H26N2O10S2
InChI InChI=1S/C20H26N2O10S2/c1-14-9-22(13-21-18(14)24)19-16(23)17(29-10-15-7-5-4-6-8-15)20(32-19,11-30-33(2,25)26)12-31-34(3,27)28/h4-9,13,16-17,19,23H,10-12H2,1-3H3/t16-,17-,19-/m0/s1
InChIKey YFWQIYXQXKRHAM-LNLFQRSKSA-N
Literature Reference Author B.R.BABU,RAUNAK,N.E.POOPEIKO,M.JUHL,A.D.BOND,V.S.PARMAR,J.WE NGEL
Literature Reference Citation EUR.J.ORG.CHEM.,2297(2005)
Literature Reference DOI 10.1002/ejoc.200500023
Molecular Weight 518.554 g/mol
Sample ID 39311
Solvent DMSO-D6