Chemical Properties
| Melting point | 159-162°C |
| alpha | D20 +35.8° (c = 3.1 in chloroform); D24 +45° (acetone) |
| Boiling point | 297-299 °C(Press: 15 Torr) |
| Density | 1.152±0.06 g/cm3 (20 ºC 760 Torr) |
| storage temp. | 4°C, protect from light |
| solubility | DMSO: 100 mg/mL (300.82 mM) |
| form | A solid |
| pka | 14.66±0.70(Predicted) |
| color | White to off-white |
| biological source | plant |
| optical activity | +35.820 (c 3.1, CHCl3) |
| Major Application | metabolomics vitamins, nutraceuticals, and natural products |
| InChI | 1S/C20H28O4/c1-13-11-15-16-18(2,17(21)24-15)7-4-8-19(16,3)20(13,22)9-5-14-6-10-23-12-14/h6,10,12-13,15-16,22H,4-5,7-9,11H2,1-3H3/t13-,15-,16+,18+,19+,20-/m1/s1 |
| InChIKey | HQLLRHCTVDVUJB-OBHOOXMTSA-N |
| SMILES | [o]1cc(cc1)CC[C@@]2([C@@]3([C@H]4[C@H](OC(=O)[C@]4(CCC3)C)C[C@H]2C)C)O |
| LogP | 3.400 (est) |
Safety Information
| Risk Statements | 25 |
| Safety Statements | 1-22-45 |
| RIDADR | 2811 |
| WGK Germany | WGK 3 |
| Storage Class | 6.1C - Combustible acute toxic Cat.3 toxic compounds or compounds which causing chronic effects |
| Hazard Classifications | Acute Tox. 3 Oral |
