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3-[5'-O-(ASPARAGYLPROLYLVALYL)-2'-DEOXY-BETA-D-RIBOFURANOSYL]-6-(PARA-PENTYLPHENYL)-2,3-DIHYDROFURO-[2.3-D]-PYRIMIDIN-2-ONE

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3-[5'-O-(ASPARAGYLPROLYLVALYL)-2'-DEOXY-BETA-D-RIBOFURANOSYL]-6-(PARA-PENTYLPHENYL)-2,3-DIHYDROFURO-[2.3-D]-PYRIMIDIN-2-ONE
SpectraBase Compound ID A7iFJCTr5hM
InChI InChI=1S/C36H48N6O9/c1-4-5-6-8-21-10-12-22(13-11-21)27-15-23-18-42(36(48)40-33(23)51-27)30-17-26(43)28(50-30)19-49-35(47)31(20(2)3)39-32(45)25-9-7-14-41(25)34(46)24(37)16-29(38)44/h10-13,15,18,20,24-26,28,30-31,43H,4-9,14,16-17,19,37H2,1-3H3,(H2,38,44)(H,39,45)
InChIKey GFKAORQLRIKQNL-UHFFFAOYSA-N
Mol Weight 708.8 g/mol
Molecular Formula C36H48N6O9
Exact Mass 708.348277 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J7m8Mw3gWg8
Name 3-[5'-O-(ASPARAGYLPROLYLVALYL)-2'-DEOXY-BETA-D-RIBOFURANOSYL]-6-(PARA-PENTYLPHENYL)-2,3-DIHYDROFURO-[2.3-D]-PYRIMIDIN-2-ONE
Compound Number 42
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H48N6O9
InChI InChI=1S/C36H48N6O9/c1-4-5-6-8-21-10-12-22(13-11-21)27-15-23-18-42(36(48)40-33(23)51-27)30-17-26(43)28(50-30)19-49-35(47)31(20(2)3)39-32(45)25-9-7-14-41(25)34(46)24(37)16-29(38)44/h10-13,15,18,20,24-26,28,30-31,43H,4-9,14,16-17,19,37H2,1-3H3,(H2,38,44)(H,39,45)
InChIKey GFKAORQLRIKQNL-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 708.812 g/mol
Solvent DMSO-D6
Source File Reference UWMZ48196