Gentiopicroside
- Product NameGentiopicroside
- CAS20831-76-9
- MFC16H20O9
- MW356.33
- EINECS244-070-2
- 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) |
