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Gentiopicroside Structure

Gentiopicroside

  • Product NameGentiopicroside
  • CAS20831-76-9
  • CBNumberCB7110834
  • MFC16H20O9
  • MW356.33
  • EINECS244-070-2
  • MDL NumberMFCD00075700
  • MOL File20831-76-9.mol

Chemical Properties

Melting point: 191°C
alpha  -200 º (c=2, H2O)
Boiling point: 667.8±55.0 °C(Predicted)
Density  1.52±0.1 g/cm3(Predicted)
storage temp.  2-8°C(protect from light)
solubility  DMSO (Slightly), Ethanol (Slightly, Sonicated)
form  Solid
pka 12.79±0.70(Predicted)
color  Pale Beige
biological source plant (Gentiana macrophylla Pall)
optical activity [α]/D -185 to -205°, c =1 in H2O
Water Solubility  H2O: 20mg/mL, clear
Stability: Hygroscopic
Major Application metabolomics
vitamins, nutraceuticals, and natural products
InChI 1S/C16H20O9/c1-2-7-8-3-4-22-14(21)9(8)6-23-15(7)25-16-13(20)12(19)11(18)10(5-17)24-16/h2-3,6-7,10-13,15-20H,1,4-5H2/t7-,10-,11-,12+,13-,15+,16+/m1/s1
InChIKey DUAGQYUORDTXOR-GPQRQXLASA-N
SMILES C=C[C@H]1[C@H](O[C@]2([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C3C(OCC=C31)=O
LogP -3.170 (est)
CAS DataBase Reference 20831-76-9(CAS DataBase Reference)

Safety

Symbol(GHS)  Exclamation Mark (GHS07)Flame (GHS02)
GHS07,GHS02
Signal word  Warning
Hazard statements  H315-H319-H226
Precautionary statements  P501-P240-P210-P233-P243-P241-P242-P264-P280-P370+P378-P337+P313-P305+P351+P338-P362+P364-P303+P361+P353-P332+P313-P403+P235
WGK Germany  WGK 3
HS Code  2938909090
Storage Class 11 - Combustible Solids
NFPA 704:
0
2 0

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Gentiopicroside Chemical Properties,Usage,Production

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