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3-METHYL-CYCLOSAL-N1-(BETA-D-2'-DEOXYRIBOSYL)-5-METHYL-PYRIMIDIN-2-ONE-5'-MONOPHOSPHATE;3-ME-CYLOSAL-M(5)-KMP
SpectraBase Compound ID DzYeLrSkPah
InChI InChI=1S/2C18H21N2O7P/c2*1-11-7-19-18(22)20(8-11)16-6-14(21)15(26-16)10-25-28(23)24-9-13-5-3-4-12(2)17(13)27-28/h2*3-5,7-8,14-16,21H,6,9-10H2,1-2H3/t2*14-,15+,16+,28?/m11/s1
InChIKey RSXYMYWUABSYEL-YVKBFAJMSA-N
Mol Weight 816.69 g/mol
Molecular Formula C36H42N4O14P2
Exact Mass 816.217276 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Hc4sJAsKbK6
Name 3-METHYL-CYCLOSAL-N1-(BETA-D-2'-DEOXYRIBOSYL)-5-METHYL-PYRIMIDIN-2-ONE-5'-MONOPHOSPHATE;3-ME-CYLOSAL-M(5)-KMP
Compound Number 11
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H42N4O14P2
InChI InChI=1S/2C18H21N2O7P/c2*1-11-7-19-18(22)20(8-11)16-6-14(21)15(26-16)10-25-28(23)24-9-13-5-3-4-12(2)17(13)27-28/h2*3-5,7-8,14-16,21H,6,9-10H2,1-2H3/t2*14-,15+,16+,28?/m11/s1
InChIKey RSXYMYWUABSYEL-YVKBFAJMSA-N
Literature Reference Author H.J.JESSEN,W.FENDRICH,C.MEIER
Literature Reference Citation EUR.J.ORG.CHEM.,924(2006)
Solvent DMSO-D6
Source File Reference UWLU43340