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3',4'-CYCLIC-ESTER-OF-9-[(1'-BETA,3'-ALPHA,4'-BETA)-4'-[ETHOXY-(HYDROXY)-PHOSPHORYLMETHOXY]-3'-HYDROXYCYCLOPENTYL]-ADENINE;MAJOR-ISOMER

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3',4'-CYCLIC-ESTER-OF-9-[(1'-BETA,3'-ALPHA,4'-BETA)-4'-[ETHOXY-(HYDROXY)-PHOSPHORYLMETHOXY]-3'-HYDROXYCYCLOPENTYL]-ADENINE;MAJOR-ISOMER
SpectraBase Compound ID bYQ5ceJzlK
InChI InChI=1S/C13H18N5O4P/c1-2-21-23(19)7-20-9-3-8(4-10(9)22-23)18-6-17-11-12(14)15-5-16-13(11)18/h5-6,8-10H,2-4,7H2,1H3,(H2,14,15,16)
InChIKey KMJYQDDDHSTCMR-UHFFFAOYSA-N
Mol Weight 339.29 g/mol
Molecular Formula C13H18N5O4P
Exact Mass 339.109641 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 61JZN7uVzJg
Name 3',4'-CYCLIC-ESTER-OF-9-[(1'-BETA,3'-ALPHA,4'-BETA)-4'-[ETHOXY-(HYDROXY)-PHOSPHORYLMETHOXY]-3'-HYDROXYCYCLOPENTYL]-ADENINE;MAJOR-ISOMER
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H18N5O4P
InChI InChI=1S/C13H18N5O4P/c1-2-21-23(19)7-20-9-3-8(4-10(9)22-23)18-6-17-11-12(14)15-5-16-13(11)18/h5-6,8-10H,2-4,7H2,1H3,(H2,14,15,16)
InChIKey KMJYQDDDHSTCMR-UHFFFAOYSA-N
Literature Reference Author J.M.L.HILLMAN,S.M.ROBERTS
Literature Reference Citation J.CHEM.SOC.PERKIN-1,3601(1997)
Literature Reference DOI 10.1039/a704961g
Solvent CD3OD
Source File Reference UWRU9424