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1-[3-O-BENZYL-2,5-DI-O-(METHYLSULFONYL)-4-C-(METHYLSULFONYLOXYMETHYL)-ALPHA-L-THREO-PENTOFURANOSYL]-THYMINE
SpectraBase Compound ID 9qqOGzjjRDP
InChI InChI=1S/C21H28N2O12S3/c1-15-10-23(14-22-19(15)24)20-17(35-38(4,29)30)18(31-11-16-8-6-5-7-9-16)21(34-20,12-32-36(2,25)26)13-33-37(3,27)28/h5-10,14,17-18,20H,11-13H2,1-4H3/t17-,18-,20-/m0/s1
InChIKey CCWFSVMGBFRLAW-BJLQDIEVSA-N
Mol Weight 596.64 g/mol
Molecular Formula C21H28N2O12S3
Exact Mass 596.080438 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EwobV1ZoK1p
Name 1-[3-O-BENZYL-2,5-DI-O-(METHYLSULFONYL)-4-C-(METHYLSULFONYLOXYMETHYL)-ALPHA-L-THREO-PENTOFURANOSYL]-THYMINE
Compound Number 21
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H28N2O12S3
InChI InChI=1S/C21H28N2O12S3/c1-15-10-23(14-22-19(15)24)20-17(35-38(4,29)30)18(31-11-16-8-6-5-7-9-16)21(34-20,12-32-36(2,25)26)13-33-37(3,27)28/h5-10,14,17-18,20H,11-13H2,1-4H3/t17-,18-,20-/m0/s1
InChIKey CCWFSVMGBFRLAW-BJLQDIEVSA-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 596.640 g/mol
Sample ID 39312
Solvent CDCl3