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3-[2'-DEOXY-5'-O-(VALYLPROLYLVALYL)-BETA-D-RIBOFURANOSYL]-6-(PARA-PENTYLPHENYL)-2,3-DIHYDROFURO-[2.3-D]-PYRIMIDIN-2-ONE
SpectraBase Compound ID IsPKfRwyYQw
InChI InChI=1S/C37H51N5O8/c1-6-7-8-10-23-12-14-24(15-13-23)28-17-25-19-42(37(47)40-34(25)50-28)30-18-27(43)29(49-30)20-48-36(46)32(22(4)5)39-33(44)26-11-9-16-41(26)35(45)31(38)21(2)3/h12-15,17,19,21-22,26-27,29-32,43H,6-11,16,18,20,38H2,1-5H3,(H,39,44)
InChIKey ZJJRAJKUEUBXRA-UHFFFAOYSA-N
Mol Weight 693.8 g/mol
Molecular Formula C37H51N5O8
Exact Mass 693.373764 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Aye4UWIAfMs
Name 3-[2'-DEOXY-5'-O-(VALYLPROLYLVALYL)-BETA-D-RIBOFURANOSYL]-6-(PARA-PENTYLPHENYL)-2,3-DIHYDROFURO-[2.3-D]-PYRIMIDIN-2-ONE
Compound Number 13
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C37H51N5O8
InChI InChI=1S/C37H51N5O8/c1-6-7-8-10-23-12-14-24(15-13-23)28-17-25-19-42(37(47)40-34(25)50-28)30-18-27(43)29(49-30)20-48-36(46)32(22(4)5)39-33(44)26-11-9-16-41(26)35(45)31(38)21(2)3/h12-15,17,19,21-22,26-27,29-32,43H,6-11,16,18,20,38H2,1-5H3,(H,39,44)
InChIKey ZJJRAJKUEUBXRA-UHFFFAOYSA-N
Literature Reference Author A.DIEZ-TORRUBIA,J.BALZARINI,G.ANDREI,R.SNOECK,I.DEMEESTER,M. J.CAMARASA,S.VELAZQU
Literature Reference Citation J.MED.CHEM.,54,1927(2011)
Literature Reference DOI 10.1021/jm101624e
Molecular Weight 693.841 g/mol
Solvent ACETONE-D6
Source File Reference UWMZ48191