Deacetyl asperulosidic acid methyl ester
- Product NameDeacetyl asperulosidic acid methyl ester
- CAS52613-28-2
- MFC17H24O11
- MW404.37
- EINECS
- MOL File52613-28-2.mol
Chemical Properties
| Boiling point | 696.3±55.0 °C(Predicted) |
| Density | 1.61±0.1 g/cm3(Predicted) |
| storage temp. | -20°C |
| solubility | DMSO : 250 mg/mL (618.25 mM; Need ultrasonic)Methanol : 62.5 mg/mL (154.56 mM; Need ultrasonic) |
| form | Powder |
| pka | 12.80±0.70(Predicted) |
| color | White to off-white |
| InChIKey | WSGPLSDARZNMCW-FCVLBCLDSA-N |
| SMILES | O1[C@H]([C@@H]([C@H]([C@@H]([C@H]1CO)O)O)O)O[C@@H]2OC=C([C@@H]3[C@H]2C(=C[C@@H]3O)CO)C(=O)OC |
Safety Information
| Safety Statements | 24/25 |
| WGK Germany | WGK 3 |
| HS Code | 29389090 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Acute Tox. 4 Oral |
