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#2C;(2S,8S)-8-HYDROXYMETHYL-2-(2-1,4,7,10,13)-PENTAOXA-16-AZACYCLOOCTADEC-16-YL-ACETOXYMETHYL)-3,4,6,7,8,9-HEXAHYDRO-2H-PYRIMIDO-[1,2-A]-PYRIMIDIN-1-IUM

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#2C;(2S,8S)-8-HYDROXYMETHYL-2-(2-1,4,7,10,13)-PENTAOXA-16-AZACYCLOOCTADEC-16-YL-ACETOXYMETHYL)-3,4,6,7,8,9-HEXAHYDRO-2H-PYRIMIDO-[1,2-A]-PYRIMIDIN-1-IUM
SpectraBase Compound ID 9Q0lsEKiDwL
InChI InChI=1S/C23H42N4O8.F6P/c28-18-20-1-3-27-4-2-21(25-23(27)24-20)19-35-22(29)17-26-5-7-30-9-11-32-13-15-34-16-14-33-12-10-31-8-6-26;1-7(2,3,4,5)6/h20-21,28H,1-19H2,(H,24,25);/q;-1/p+1/t20-,21-;/m0./s1
InChIKey BHEBXHOYQHYDQH-GUTACTQSSA-O
Mol Weight 648.6 g/mol
Molecular Formula C23H43F6N4O8P
Exact Mass 648.27227 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B3c1CSiDaaI
Name #2C;(2S,8S)-8-HYDROXYMETHYL-2-(2-1,4,7,10,13)-PENTAOXA-16-AZACYCLOOCTADEC-16-YL-ACETOXYMETHYL)-3,4,6,7,8,9-HEXAHYDRO-2H-PYRIMIDO-[1,2-A]-PYRIMIDIN-1-IUM
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H43F6N4O8P
InChI InChI=1S/C23H42N4O8.F6P/c28-18-20-1-3-27-4-2-21(25-23(27)24-20)19-35-22(29)17-26-5-7-30-9-11-32-13-15-34-16-14-33-12-10-31-8-6-26;1-7(2,3,4,5)6/h20-21,28H,1-19H2,(H,24,25);/q;-1/p+1/t20-,21-;/m0./s1
InChIKey BHEBXHOYQHYDQH-GUTACTQSSA-O
Literature Reference Author P.BRECCIA,M.V.GOOL,R.PEREZ-FERNANDEZ,S.MARTIN-SANTAMARIA,F.G AGO,P.PRADOS,J.D.MEN
Literature Reference Citation J.AM.CHEM.SOC.,125,8270(2003)
Literature Reference DOI 10.1021/ja026860s
Molecular Weight 648.581 g/mol
Sample ID 41729
Solvent ACETONE-D6