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2-(1,4,6-Tri-O-benzoyl-.beta.,D-fructofuranosyl)uracil
SpectraBase Compound ID DTQN4p84bvm
InChI InChI=1S/C31H26N2O10/c34-24-16-17-33(30(39)32-24)31(19-41-28(37)21-12-6-2-7-13-21)26(35)25(42-29(38)22-14-8-3-9-15-22)23(43-31)18-40-27(36)20-10-4-1-5-11-20/h1-17,23,25-26,35H,18-19H2,(H,32,34,39)
InChIKey CBLBCCWPUMVQJB-UHFFFAOYSA-N
Mol Weight 586.55 g/mol
Molecular Formula C31H26N2O10
Exact Mass 586.158745 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LaaC0kTrttY
Name 2-(1,4,6-Tri-O-benzoyl-.beta.,D-fructofuranosyl)uracil
Alternate Name(s) 2-(1,4,6-Tri-O-benzoyl-.beta.,D-psicofuranosyl)uracil 2,5-bis[(benzoyloxy)methyl]-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-4-hydroxyoxolan-3-yl benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H26N2O10
InChI InChI=1S/C31H26N2O10/c34-24-16-17-33(30(39)32-24)31(19-41-28(37)21-12-6-2-7-13-21)26(35)25(42-29(38)22-14-8-3-9-15-22)23(43-31)18-40-27(36)20-10-4-1-5-11-20/h1-17,23,25-26,35H,18-19H2,(H,32,34,39)
InChIKey CBLBCCWPUMVQJB-UHFFFAOYSA-N
Molecular Weight 586.553 g/mol
SMILES N1C(C=CN(C2(C(C(C(O2)COC(=O)c2ccccc2)OC(=O)c2ccccc2)O)COC(=O)c2ccccc2)C1=O)=O
SPLASH splash10-0a4i-2900100000-5fcc28bb024c8b64265c
Source of Spectrum E1-40-1767-22
Wiley ID 1519614