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#6;2-[4-[2-[5-FLUORO-2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL]-ACETOXY]-3,5-DIHYDROXYPHENYL]-5,7-DIHYDROXY-4-OXO-CHROMAN-3-YL-2-(5-FLUORO-2,4-DIOXO-3,4-DIHYDROP

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#6;2-[4-[2-[5-FLUORO-2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL]-ACETOXY]-3,5-DIHYDROXYPHENYL]-5,7-DIHYDROXY-4-OXO-CHROMAN-3-YL-2-(5-FLUORO-2,4-DIOXO-3,4-DIHYDROP
SpectraBase Compound ID Lbtak37Qw0i
InChI InChI=1S/C27H18F2N4O14/c28-11-5-32(26(43)30-24(11)41)7-17(38)46-22-14(36)1-9(2-15(22)37)21-23(20(40)19-13(35)3-10(34)4-16(19)45-21)47-18(39)8-33-6-12(29)25(42)31-27(33)44/h1-6,21,23,34-37H,7-8H2,(H,30,41,43)(H,31,42,44)
InChIKey WHBJZZDXORWOIN-UHFFFAOYSA-N
Mol Weight 660.45 g/mol
Molecular Formula C27H18F2N4O14
Exact Mass 660.078758 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9yde0M0xUsb
Name #6;2-[4-[2-[5-FLUORO-2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL]-ACETOXY]-3,5-DIHYDROXYPHENYL]-5,7-DIHYDROXY-4-OXO-CHROMAN-3-YL-2-(5-FLUORO-2,4-DIOXO-3,4-DIHYDROP
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H18F2N4O14
InChI InChI=1S/C27H18F2N4O14/c28-11-5-32(26(43)30-24(11)41)7-17(38)46-22-14(36)1-9(2-15(22)37)21-23(20(40)19-13(35)3-10(34)4-16(19)45-21)47-18(39)8-33-6-12(29)25(42)31-27(33)44/h1-6,21,23,34-37H,7-8H2,(H,30,41,43)(H,31,42,44)
InChIKey WHBJZZDXORWOIN-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 660.455 g/mol
Sample ID 70199
Solvent DMSO-D6