Gentiopicroside , 10mMinDMSO , 20831-76-9

Synonym(s):
(3S,4R)-4-ethenyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,6-dihydro-3H-pyrano[3,4-c]pyran-8-one;(5R,6S)-5-Ethenyl-6-(-D-glucopyranosyloxy)-5,6-dihydro-1H,3H-Pyrano[3,4-c]pyran-1-one;(5R-trans)-5-ethenyl-6-(-D-glucopyranosyloxy)-5,6-dihydro-1H,3H-pyrano[3,4-c]pyran-1-one;Gentiopicrin;NSC606402

CAS NO.：20831-76-9

Empirical Formula: C16H20O9

Molecular Weight: 356.33

MDL number: MFCD00075700

EINECS: 244-070-2

PRODUCT 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)

Description and Uses

Gentiopicroside is an anticonvulsant agent present in plant extracts.

Safety

• Symbol(GHS): 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