| Melting point |
203-205°C |
| alpha |
D17 +4.4° (c = 4.28 in abs alc), +3.49° (c = 7.57 in acetone) |
| Boiling point |
354.22°C (rough estimate) |
| Density |
1.2207 (rough estimate) |
| refractive index |
1.4359 (estimate) |
| storage temp. |
2-8°C |
| pka |
13.18±0.60(Predicted) |
| form |
Solid |
| color |
White to off-white |
| Major Application |
pharmaceutical (small molecule) |
| InChI |
1S/C15H16O6/c1-5(2)7-8-11(16)19-9(7)10-13(3)14(8,18)4-6-15(13,21-6)12(17)20-10/h6-10,18H,1,4H2,2-3H3/t6-,7+,8+,9-,10-,13-,14-,15+/m1/s1 |
| InChIKey |
PIMZUZSSNYHVCU-KBLUICEQSA-N |
| SMILES |
[H][C@@]12OC(=O)[C@]([H])([C@@H]1C(C)=C)[C@]3(O)C[C@H]4O[C@]45C(=O)O[C@@]2([H])[C@]35C |
| LogP |
-0.130 (est) |
| EPA Substance Registry System |
Picrotoxinin (17617-45-7) |
