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3-[2'-DEOXY-5'-O-(VALYLPROLYLALANYL)-BETA-D-RIBOFURANOSYL]-6-(PARA-PENTYLPHENYL)-2,3-DIHYDROFURO-[2.3-D]-PYRIMIDIN-2-ONE
SpectraBase Compound ID JIB0RtreeMB
InChI InChI=1S/C35H47N5O8/c1-5-6-7-9-22-11-13-23(14-12-22)27-16-24-18-40(35(45)38-32(24)48-27)29-17-26(41)28(47-29)19-46-34(44)21(4)37-31(42)25-10-8-15-39(25)33(43)30(36)20(2)3/h11-14,16,18,20-21,25-26,28-30,41H,5-10,15,17,19,36H2,1-4H3,(H,37,42)
InChIKey VTHBIIXOLFHHKI-UHFFFAOYSA-N
Mol Weight 665.8 g/mol
Molecular Formula C35H47N5O8
Exact Mass 665.342463 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IhV3WFQ7JhM
Name 3-[2'-DEOXY-5'-O-(VALYLPROLYLALANYL)-BETA-D-RIBOFURANOSYL]-6-(PARA-PENTYLPHENYL)-2,3-DIHYDROFURO-[2.3-D]-PYRIMIDIN-2-ONE
Compound Number 34
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C35H47N5O8
InChI InChI=1S/C35H47N5O8/c1-5-6-7-9-22-11-13-23(14-12-22)27-16-24-18-40(35(45)38-32(24)48-27)29-17-26(41)28(47-29)19-46-34(44)21(4)37-31(42)25-10-8-15-39(25)33(43)30(36)20(2)3/h11-14,16,18,20-21,25-26,28-30,41H,5-10,15,17,19,36H2,1-4H3,(H,37,42)
InChIKey VTHBIIXOLFHHKI-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 665.787 g/mol
Solvent ACETONE-D6
Source File Reference UWMZ48195