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3-(3-(3-nitrophenyl)-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-(3-nitrophenyl)-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 JmVyXHds2Z3
InChI InChI=1S/C30H25N3O10/c34-14-25-27(36)28(37)29(38)30(43-25)42-19-9-10-20-24(12-19)41-15-21(26(20)35)23-13-22(16-5-4-8-18(11-16)33(39)40)31-32(23)17-6-2-1-3-7-17/h1-13,15,25,27-30,34,36-38H,14H2/t25-,27-,28+,29-,30-/m1/s1
InChIKey JDJYVGOXFIBYKD-LXRLAABLSA-N
Mol Weight 587.54 g/mol
Molecular Formula C30H25N3O10
Exact Mass 587.153994 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5pyUTkwkI9c
Name 3-(3-(3-nitrophenyl)-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 C30H25N3O10
InChI InChI=1S/C30H25N3O10/c34-14-25-27(36)28(37)29(38)30(43-25)42-19-9-10-20-24(12-19)41-15-21(26(20)35)23-13-22(16-5-4-8-18(11-16)33(39)40)31-32(23)17-6-2-1-3-7-17/h1-13,15,25,27-30,34,36-38H,14H2/t25-,27-,28+,29-,30-/m1/s1
InChIKey JDJYVGOXFIBYKD-LXRLAABLSA-N
Molecular Weight 587.541 g/mol
SMILES O[C@@]1([C@](O[C@]([C@@]([C@]1(O)[H])(O)[H])(Oc1ccc2c(OC=C(c3cc(n[n]3-c3ccccc3)-c3cc(ccc3)[N+](=O)[O-])C2=O)c1)[H])(CO)[H])[H]
SPLASH splash10-004i-1632920000-7dde3953a3895d4e65fb
Source of Spectrum Y1-47B-1270-5h
Wiley ID 1744567