cynaropicrin
- Product Namecynaropicrin
- CAS35730-78-0
- CBNumberCB41398432
- MFC19H22O6
- MW346.37
- MDL NumberMFCD31614147
- MOL File35730-78-0.mol
- MSDS FileSDS
Chemical Properties
| Boiling point | 566.2±50.0 °C(Predicted) |
| Density | 1.28±0.1 g/cm3 (20 ºC 760 Torr) |
| storage temp. | -20°C, protect from light |
| solubility | DMSO:50.0(Max Conc. mg/mL);144.35(Max Conc. mM) |
| pka | 13.52±0.10(Predicted) |
| form | Oil |
| color | Off-white to light yellow |
| biological source | plant |
| Major Application | metabolomics vitamins, nutraceuticals, and natural products |
| InChI | 1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1 |
| InChIKey | KHSCYOFDKADJDJ-NQLMQOPMSA-N |
| SMILES | O1[C@@H]2[C@@H]3[C@@H](C[C@@H](C3=C)O)C(=C)C[C@@H]([C@H]2C(=C)C1=O)OC(=O)C(=C)CO |
| LogP | 1.340 (est) |
| FDA UNII | M9233789I9 |
| UNSPSC Code | 41116107 |
| NACRES | NA.25 |
