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3-(3-(4-chlorophenyl)-1-phenyl-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-(3-(4-chlorophenyl)-1-phenyl-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 KS1sSWkAOnx
InChI InChI=1S/C30H25ClN2O8/c31-17-8-6-16(7-9-17)22-13-23(33(32-22)18-4-2-1-3-5-18)21-15-39-24-12-19(10-11-20(24)26(21)35)40-30-29(38)28(37)27(36)25(14-34)41-30/h1-13,15,25,27-30,34,36-38H,14H2/t25-,27-,28+,29-,30-/m1/s1
InChIKey FKBUUBVXOWSCMK-LXRLAABLSA-N
Mol Weight 576.99 g/mol
Molecular Formula C30H25ClN2O8
Exact Mass 576.129943 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8nWRp1wp8Ee
Name 3-(3-(4-chlorophenyl)-1-phenyl-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 C30H25ClN2O8
InChI InChI=1S/C30H25ClN2O8/c31-17-8-6-16(7-9-17)22-13-23(33(32-22)18-4-2-1-3-5-18)21-15-39-24-12-19(10-11-20(24)26(21)35)40-30-29(38)28(37)27(36)25(14-34)41-30/h1-13,15,25,27-30,34,36-38H,14H2/t25-,27-,28+,29-,30-/m1/s1
InChIKey FKBUUBVXOWSCMK-LXRLAABLSA-N
Molecular Weight 576.989 g/mol
SMILES O[C@@]1([C@](O[C@]([C@@]([C@]1(O)[H])(O)[H])(Oc1cc2c(C(C(c3cc(n[n]3-c3ccccc3)-c3ccc(cc3)Cl)=CO2)=O)cc1)[H])(CO)[H])[H]
SPLASH splash10-0i29-1662910000-43a94f5a0dc0ae01b20e
Source of Spectrum Y1-47B-1267-5b
Wiley ID 1744563