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3-[2'-DEOXY-5'-O-(LYSYLPROLYLVALYL)-BETA-D-RIBOFURANOSYL]-6-(PARA-PENTYLPHENYL)-2,3-DIHYDROFURO-[2.3-D]-PYRIMIDIN-2-ONE
SpectraBase Compound ID 6vfpS4LtLml
InChI InChI=1S/C38H54N6O8/c1-4-5-6-10-24-13-15-25(16-14-24)30-19-26-21-44(38(49)42-35(26)52-30)32-20-29(45)31(51-32)22-50-37(48)33(23(2)3)41-34(46)28-12-9-18-43(28)36(47)27(40)11-7-8-17-39/h13-16,19,21,23,27-29,31-33,45H,4-12,17-18,20,22,39-40H2,1-3H3,(H,41,46)
InChIKey RKMKEBPMBUKCRS-UHFFFAOYSA-N
Mol Weight 722.9 g/mol
Molecular Formula C38H54N6O8
Exact Mass 722.400313 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JBmtMkSnKw0
Name 3-[2'-DEOXY-5'-O-(LYSYLPROLYLVALYL)-BETA-D-RIBOFURANOSYL]-6-(PARA-PENTYLPHENYL)-2,3-DIHYDROFURO-[2.3-D]-PYRIMIDIN-2-ONE
Compound Number 44
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C38H54N6O8
InChI InChI=1S/C38H54N6O8/c1-4-5-6-10-24-13-15-25(16-14-24)30-19-26-21-44(38(49)42-35(26)52-30)32-20-29(45)31(51-32)22-50-37(48)33(23(2)3)41-34(46)28-12-9-18-43(28)36(47)27(40)11-7-8-17-39/h13-16,19,21,23,27-29,31-33,45H,4-12,17-18,20,22,39-40H2,1-3H3,(H,41,46)
InChIKey RKMKEBPMBUKCRS-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 722.882 g/mol
Solvent DMSO-D6
Source File Reference UWMZ48197