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3-METHYL-CYCLOSALIGENYL-(6'-CARBA-2',3'-DIDEOXYTHYMIDINYL)-MONOPHOSPHATE;3-ME-CYCLOSAL-CARBA-DDTMP
SpectraBase Compound ID 2z6kX1qKoGP
InChI InChI=1S/2C19H23N2O6P/c2*1-12-4-3-5-15-11-26-28(24,27-17(12)15)25-10-14-6-7-16(8-14)21-9-13(2)18(22)20-19(21)23/h2*3-5,9,14,16H,6-8,10-11H2,1-2H3,(H,20,22,23)/t2*14-,16+,28?/m11/s1
InChIKey KBMWESHCNAUWSB-ZMBNCEKWSA-N
Mol Weight 812.75 g/mol
Molecular Formula C38H46N4O12P2
Exact Mass 812.258747 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DLeeE7wacbv
Name 3-METHYL-CYCLOSALIGENYL-(6'-CARBA-2',3'-DIDEOXYTHYMIDINYL)-MONOPHOSPHATE;3-ME-CYCLOSAL-CARBA-DDTMP
Compound Number 12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C38H46N4O12P2
InChI InChI=1S/2C19H23N2O6P/c2*1-12-4-3-5-15-11-26-28(24,27-17(12)15)25-10-14-6-7-16(8-14)21-9-13(2)18(22)20-19(21)23/h2*3-5,9,14,16H,6-8,10-11H2,1-2H3,(H,20,22,23)/t2*14-,16+,28?/m11/s1
InChIKey KBMWESHCNAUWSB-ZMBNCEKWSA-N
Literature Reference Author O.R.LUDEK,J.BALZARINI,C.MEIER
Literature Reference Citation EUR.J.ORG.CHEM.,932(2006)
Solvent CDCl3
Source File Reference UWLU43339