| Melting point |
222 °C(lit.) |
| Boiling point |
435.71°C (rough estimate) |
| Density |
1.0639 (rough estimate) |
| refractive index |
1.6120 (estimate) |
| storage temp. |
room temp |
| solubility |
DMSO (Slightly), Methanol (Slightly) |
| form |
Solid |
| pka |
14.44±0.70(Predicted) |
| color |
White to off-white |
| Merck |
13,3188 |
| BRN |
96479 |
| Henry's Law Constant |
4.3×105 mol/(m3Pa) at 25℃, HSDB (2015) |
| Major Application |
environmental
food and beverages
forensics and toxicology
veterinary |
| InChIKey |
SHIBSTMRCDJXLN-KCZCNTNESA-N |
| SMILES |
C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]3[C@@H]2C[C@@H](O)[C@]4(C)[C@H](CC[C@]34O)C5=CC(=O)OC5 |
| CAS DataBase Reference |
1672-46-4(CAS DataBase Reference) |
| EPA Substance Registry System |
Card-20(22)-enolide, 3,12,14-trihydroxy-, (3.beta.,5.beta,12.beta.)- (1672-46-4) |
