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2-METHYLTHIO-(2',3'-O-METHOXYMETHYLIDENE)-ADENOSINE

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2-METHYLTHIO-(2',3'-O-METHOXYMETHYLIDENE)-ADENOSINE
SpectraBase Compound ID HKif9Rz5LPO
InChI InChI=1S/2C13H17N5O5S/c2*1-20-13-22-7-5(3-19)21-11(8(7)23-13)18-4-15-6-9(14)16-12(24-2)17-10(6)18/h2*4-5,7-8,11,13,19H,3H2,1-2H3,(H2,14,16,17)/t2*5-,7-,8-,11-,13?/m00/s1
InChIKey SOIONLIVIYMCMW-ANOSLVGGSA-N
Mol Weight 710.74 g/mol
Molecular Formula C26H34N10O10S2
Exact Mass 710.19008 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Kjof9IQVKYh
Name 2-METHYLTHIO-(2',3'-O-METHOXYMETHYLIDENE)-ADENOSINE
Compound Number 3B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H34N10O10S2
InChI InChI=1S/2C13H17N5O5S/c2*1-20-13-22-7-5(3-19)21-11(8(7)23-13)18-4-15-6-9(14)16-12(24-2)17-10(6)18/h2*4-5,7-8,11,13,19H,3H2,1-2H3,(H2,14,16,17)/t2*5-,7-,8-,11-,13?/m00/s1
InChIKey SOIONLIVIYMCMW-ANOSLVGGSA-N
Literature Reference Author V.NAHUM,G.ZUENDORF,S.A.LEVESQUE,A.R.BEAUDOIN,G.REISER,B.FISC HER
Literature Reference Citation J.MED.CHEM.,45,5384(2002)
Literature Reference DOI 10.1021/jm020251d
Molecular Weight 710.737 g/mol
Sample ID 65664
Solvent CDCl3