20831-76-9

Name Gentiopicroside
CAS 20831-76-9
EINECS(EC#) 244-070-2
Molecular Formula C16H20O9
MDL Number MFCD00075700
Molecular Weight 356.32
MOL File 20831-76-9.mol
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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.  Keep in dark place,Sealed in dry,2-8°C
solubility  DMSO (Slightly), Ethanol (Slightly, Sonicated)
form  Solid
pka 12.79±0.70(Predicted)
color  Pale Beige
biological source plant (Gentiana macrophylla Pall)
Optical Rotation [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)
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Safety Data

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  29389090
Storage Class 11 - Combustible Solids

Hazard Information

Material Safety Data Sheet(MSDS)

Spectrum Detail

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