Liquiritin

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Upper classes



Liquiritin
Liquiritin.png
Structural Information
Systematic Name (2S)-2-[4-(beta-D-Glucopyranosyloxy)phenyl]-2,3-dihydro-7-hydroxy-4H-1-benzopyran-4-one
Common Name
  • Liquiritin
  • (S)-2-[4-(beta-D-Glucopyranosyloxy)phenyl]-2,3-dihydro-7-hydroxy-4H-1-benzopyran-4-one
  • Liquiritin
  • 4',7-Dihydroxyflavanone 4'-(beta-D-glucopyranoside)
  • 4',7-Dihydroxyflavanone 4'-(beta-D-glucoside)
  • 7-Hydroxyflavanone 4'-O-glucoside
  • Likviritin
  • Liquiritoside
Symbol
Formula C21H22O9
Exact Mass 418.126382302
Average Mass 418.39398
SMILES OCC(O1)C(O)C(O)C(O)C(Oc(c4)ccc(c4)C(C2)Oc(c3)c(ccc(O)3)C(=O)2)1
Physicochemical Information
Melting Point
Boiling Point
Density
Optical Rotation
Reflactive Index
Solubility
Spectral Information
Mass Spectra
UV Spectra
IR Spectra
NMR Spectra
Chromatograms




Glycyrrhizae Radix LC-MS


Mass Spectral Data

Liquiritin fragmentation

m/z 417 [M-H]- Arrow00r.png
 -glucose
m/z 255
Arrow00r.png
 retro Diels-Alder
m/z 135 (1,3A-) Arrow00r.png
 -CO2
m/z 91
Arrow00r.png
 retro Diels-Alder
m/z 119 (1,3B-)
Arrow00r.png
 retrocyclization
m/z 167

Neoliquiritin fragmentation

m/z 417 [M-H]- Arrow00r.png
 -glucose
m/z 255 → the same as liquiritin
Arrow00r.png
 retro Diels-Alder
m/z 297 (1,3A-)
Arrow00r.png
 -CO
m/z 269
Arrow00r.png
 -CO2
m/z 253
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