17226-75-4
| Name | khelloside |
| CAS | 17226-75-4 |
| EINECS(EC#) | 241-263-3 |
| Molecular Formula | C19H20O10 |
| MDL Number | MFCD01725347 |
| Molecular Weight | 408.36 |
| MOL File | 17226-75-4.mol |
Chemical Properties
| Melting point | 179° |
| Boiling point | 665.8±55.0 °C(Predicted) |
| density | 1.60±0.1 g/cm3(Predicted) |
| storage temp. | -20°C |
| form | solid |
| pka | 12.93±0.70(Predicted) |
| Major Application | metabolomics vitamins, nutraceuticals, and natural products |
| InChIKey | SJRACCTZSAUMGO-WIMVFMHDSA-N |
| SMILES | COc1c2C(=O)C=C(CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)Oc2cc4occc14 |
Safety Data
| Hazard Codes | Xn,N |
| Risk Statements | |
| Safety Statements | |
| RIDADR | UN 3077 9 / PGIII |
| WGK Germany | 3 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Acute Tox. 4 Oral Aquatic Acute 1 Aquatic Chronic 1 |
| Toxicity |