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METHYL-(2''R/S)-5,6-DIDEOXY-6-[1-(THIOLAN-2-YL)-CYTOSIN-5-YL]-BETA-D-RIBO-HEXAFURANOSIDE
SpectraBase Compound ID 3o6TmIYMgIM
InChI InChI=1S/2C15H23N3O5S/c2*1-22-14-12(20)11(19)9(23-14)5-4-8-7-18(10-3-2-6-24-10)15(21)17-13(8)16/h2*7,9-12,14,19-20H,2-6H2,1H3,(H2,16,17,21)/t9-,10+,11-,12-,14-;9-,10-,11-,12-,14-/m00/s1
InChIKey PCCTXQMSDNMHSO-KGUMYQADSA-N
Mol Weight 714.85 g/mol
Molecular Formula C30H46N6O10S2
Exact Mass 714.271684 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FnP6gzy9xZe
Name METHYL-(2''R/S)-5,6-DIDEOXY-6-[1-(THIOLAN-2-YL)-CYTOSIN-5-YL]-BETA-D-RIBO-HEXAFURANOSIDE
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H46N6O10S2
InChI InChI=1S/2C15H23N3O5S/c2*1-22-14-12(20)11(19)9(23-14)5-4-8-7-18(10-3-2-6-24-10)15(21)17-13(8)16/h2*7,9-12,14,19-20H,2-6H2,1H3,(H2,16,17,21)/t9-,10+,11-,12-,14-;9-,10-,11-,12-,14-/m00/s1
InChIKey PCCTXQMSDNMHSO-KGUMYQADSA-N
Literature Reference Author A.P.SCHUETZ,S.LOCHER,B.BERNET,B.ILLARIONOV,M.FISCHER,A.BACHE R,F.DIEDERICH
Literature Reference Citation EUR.J.ORG.CHEM.,2013,880(2013)
Literature Reference DOI 10.1002/ejoc.201201454
Molecular Weight 714.849 g/mol
Solvent CDCl3:CD3OD=4:1
Source File Reference UWBT17447