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5,7-DIHYDROXY-4-OXO-2-(3,4,5-TRIHYDROXYPHENYL)-CHROMAN-3-YL-2-[5-FLUORO-2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL]-ACETATE
SpectraBase Compound ID 7Z5DhYiu3xi
InChI InChI=1S/C21H15FN2O11/c22-9-5-24(21(33)23-20(9)32)6-14(29)35-19-17(31)15-10(26)3-8(25)4-13(15)34-18(19)7-1-11(27)16(30)12(28)2-7/h1-5,18-19,25-28,30H,6H2,(H,23,32,33)
InChIKey FCXDUTKEKQGCBV-UHFFFAOYSA-N
Mol Weight 490.35 g/mol
Molecular Formula C21H15FN2O11
Exact Mass 490.065987 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4Ai7tgELV7G
Name 5,7-DIHYDROXY-4-OXO-2-(3,4,5-TRIHYDROXYPHENYL)-CHROMAN-3-YL-2-[5-FLUORO-2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL]-ACETATE
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H15FN2O11
InChI InChI=1S/C21H15FN2O11/c22-9-5-24(21(33)23-20(9)32)6-14(29)35-19-17(31)15-10(26)3-8(25)4-13(15)34-18(19)7-1-11(27)16(30)12(28)2-7/h1-5,18-19,25-28,30H,6H2,(H,23,32,33)
InChIKey FCXDUTKEKQGCBV-UHFFFAOYSA-N
Literature Reference Author W.M.ZHOU,R.R.HE,J.T.YE,N.ZHANG,D.Y.LIU
Literature Reference Citation MOLECULES,15,2114(2010)
Literature Reference DOI 10.3390/molecules15042114
Molecular Weight 490.355 g/mol
Sample ID 70198
Solvent DMSO-D6