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3-METHYL-CYCLOSALIGENYL-(6'-CARBA-2',3'-DIDEOXY-3'-PROPARGYL-THYMIDINYL)-MONOPHOSPHATE;3-ME-CYCLOSAL-CARBA-3'-PROPARGYL-DTMP
SpectraBase Compound ID 6j5c7uAdH6e
InChI InChI=1S/2C22H25N2O6P/c2*1-4-6-16-9-19(24-11-15(3)21(25)23-22(24)26)10-18(16)13-29-31(27)28-12-17-8-5-7-14(2)20(17)30-31/h2*1,5,7-8,11,16,18-19H,6,9-10,12-13H2,2-3H3,(H,23,25,26)/t2*16-,18+,19-,31?/m11/s1
InChIKey RFWBJVNOJVBRTG-DQKFSTGRSA-N
Mol Weight 888.85 g/mol
Molecular Formula C44H50N4O12P2
Exact Mass 888.290047 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4By2tguU5TZ
Name 3-METHYL-CYCLOSALIGENYL-(6'-CARBA-2',3'-DIDEOXY-3'-PROPARGYL-THYMIDINYL)-MONOPHOSPHATE;3-ME-CYCLOSAL-CARBA-3'-PROPARGYL-DTMP
Compound Number 11
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C44H50N4O12P2
InChI InChI=1S/2C22H25N2O6P/c2*1-4-6-16-9-19(24-11-15(3)21(25)23-22(24)26)10-18(16)13-29-31(27)28-12-17-8-5-7-14(2)20(17)30-31/h2*1,5,7-8,11,16,18-19H,6,9-10,12-13H2,2-3H3,(H,23,25,26)/t2*16-,18+,19-,31?/m11/s1
InChIKey RFWBJVNOJVBRTG-DQKFSTGRSA-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 UWLU43338