ISOXANTHOHUMOL
- Product NameISOXANTHOHUMOL
- CAS521-48-2
- MFC21H22O5
- MW354.4
- EINECS
- MOL File521-48-2.mol
Chemical Properties
| Melting point | 183 - 187° |
| Boiling point | 585.8±50.0 °C(Predicted) |
| Density | 1.245±0.06 g/cm3(Predicted) |
| storage temp. | 2-8°C |
| solubility | DMSO (Slightly), Methanol (Slightly) |
| form | powder |
| pka | 7.90±0.40(Predicted) |
| color | Pale Yellow |
| BRN | 10199264 |
| Major Application | metabolomics vitamins, nutraceuticals, and natural products |
| InChI | InChI=1S/C21H22O5/c1-12(2)4-9-15-16(23)10-19(25-3)20-17(24)11-18(26-21(15)20)13-5-7-14(22)8-6-13/h4-8,10,18,22-23H,9,11H2,1-3H3 |
| InChIKey | YKGCBLWILMDSAV-UHFFFAOYSA-N |
| SMILES | C1(C2=CC=C(O)C=C2)OC2=C(C/C=C(/C)\C)C(O)=CC(OC)=C2C(=O)C1 |