scillaren A
- Product Namescillaren A
- CAS124-99-2
- MFC36H52O13
- MW692.79
- EINECS204-721-3
- MOL File124-99-2.mol
Chemical Properties
| Melting point | 184-186°; mp 208-211°; mp 230-240°; mp 270° |
| alpha | D23 -71.9° (c = 1.011 in methanol); D20 -72 to -78° (c = 1 to 3 in 75% alcohol); D20 -73.8° |
| Boiling point | 619.4°C (rough estimate) |
| Density | 1.1561 (rough estimate) |
| refractive index | 1.6000 (estimate) |
| storage temp. | -20°C |
| pka | 12.88±0.70(Predicted) |
| form | solid |
| Major Application | metabolomics vitamins, nutraceuticals, and natural products |
| InChIKey | NXJOCELNFPGKIV-ARHXXGKOSA-N |
| SMILES | C[C@@H]1O[C@@H](O[C@H]2CC[C@]3(C)[C@H]4CC[C@]5(C)[C@H](CC[C@]5(O)[C@@H]4CCC3=C2)C6=COC(=O)C=C6)[C@H](O)[C@H](O)[C@H]1O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O |
Safety Information
| Hazard Codes | T |
| Risk Statements | 25 |
| Safety Statements | 45 |
| RIDADR | UN 2811 6.1 / PGIII |
| WGK Germany | 3 |
| Storage Class | 6.1C - Combustible acute toxic Cat.3 toxic compounds or compounds which causing chronic effects |
| Hazard Classifications | Acute Tox. 3 Oral |
| Toxicity | LD50 i.v. in rats: 15.5 mg/kg (Vogel, Kluge) |
