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3-(1,3-diphenyl-1H-pyrazol-5-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-(1,3-diphenyl-1H-pyrazol-5-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 885Zcco3t9G
InChI InChI=1S/C30H26N2O8/c33-15-25-27(35)28(36)29(37)30(40-25)39-19-11-12-20-24(13-19)38-16-21(26(20)34)23-14-22(17-7-3-1-4-8-17)31-32(23)18-9-5-2-6-10-18/h1-14,16,25,27-30,33,35-37H,15H2/t25-,27-,28+,29-,30-/m1/s1
InChIKey ORKPZZYOTUYYJW-LXRLAABLSA-N
Mol Weight 542.54 g/mol
Molecular Formula C30H26N2O8
Exact Mass 542.168916 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID APJ4gPu4vUR
Name 3-(1,3-diphenyl-1H-pyrazol-5-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 C30H26N2O8
InChI InChI=1S/C30H26N2O8/c33-15-25-27(35)28(36)29(37)30(40-25)39-19-11-12-20-24(13-19)38-16-21(26(20)34)23-14-22(17-7-3-1-4-8-17)31-32(23)18-9-5-2-6-10-18/h1-14,16,25,27-30,33,35-37H,15H2/t25-,27-,28+,29-,30-/m1/s1
InChIKey ORKPZZYOTUYYJW-LXRLAABLSA-N
Molecular Weight 542.544 g/mol
SMILES O[C@@]1([C@]([C@@]([C@](O[C@]1(Oc1cc2c(C(C(c3cc(n[n]3-c3ccccc3)-c3ccccc3)=CO2)=O)cc1)[H])(CO)[H])(O)[H])(O)[H])[H]
SPLASH splash10-01si-1439010000-9bf277dd4ad2c2c2e3af
Source of Spectrum Y1-47B-1267-5a
Wiley ID 1744562