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3-((E)-3-oxo-3-(p-tolyl)prop-1-en-1-yl)-7-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-4H-chromen-4-one

View entire compound with spectra: 1 MS (GC)

3-((E)-3-oxo-3-(p-tolyl)prop-1-en-1-yl)-7-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-4H-chromen-4-one
SpectraBase Compound ID 9heV2wJzXF7
InChI InChI=1S/C25H24O9/c1-13-2-4-14(5-3-13)18(27)9-6-15-12-32-19-10-16(7-8-17(19)21(15)28)33-25-24(31)23(30)22(29)20(11-26)34-25/h2-10,12,20,22-26,29-31H,11H2,1H3/b9-6+/t20-,22-,23+,24-,25-/m1/s1
InChIKey NJPZKHQUFNQTOO-MZNXIEEBSA-N
Mol Weight 468.46 g/mol
Molecular Formula C25H24O9
Exact Mass 468.142032 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7P9IiyXn2VN
Name 3-((E)-3-oxo-3-(p-tolyl)prop-1-en-1-yl)-7-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-4H-chromen-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H24O9
InChI InChI=1S/C25H24O9/c1-13-2-4-14(5-3-13)18(27)9-6-15-12-32-19-10-16(7-8-17(19)21(15)28)33-25-24(31)23(30)22(29)20(11-26)34-25/h2-10,12,20,22-26,29-31H,11H2,1H3/b9-6+/t20-,22-,23+,24-,25-/m1/s1
InChIKey NJPZKHQUFNQTOO-MZNXIEEBSA-N
Molecular Weight 468.458 g/mol
SMILES O[C@@]1([C@]([C@@]([C@](O[C@]1(Oc1cc2c(cc1)C(=O)C(\C=C\C(c1ccc(cc1)C)=O)=CO2)[H])(CO)[H])(O)[H])(O)[H])[H]
SPLASH splash10-0bt9-0905100000-86796c57e3828257220c
Source of Spectrum Y1-48B-1555-4d
Wiley ID 1744569