64847-01-4
| Name | Thunberginol H |
| CAS | 64847-01-4 |
| Molecular Formula | C17H16O5 |
| MDL Number | MFCD24849360 |
| Molecular Weight | 300.31 |
| MOL File | 64847-01-4.mol |
Chemical Properties
| Melting point | 102-103 °C(Solv: hexane (110-54-3); ethyl ether (60-29-7)) |
| Boiling point | 506.2±50.0 °C(Predicted) |
| density | 1.281±0.06 g/cm3(Predicted) |
| storage temp. | -20°C |
| form | solid |
| pka | 9.77±0.40(Predicted) |
| Major Application | metabolomics vitamins, nutraceuticals, and natural products |
| InChI | 1S/C17H16O5/c1-20-13-7-6-10(8-15(13)21-2)14-9-11-4-3-5-12(18)16(11)17(19)22-14/h3-8,14,18H,9H2,1-2H3/t14-/m1/s1 |
| InChIKey | WKNXOKHAEDTQCX-CQSZACIVSA-N |
| SMILES | COc1ccc(cc1OC)[C@H]2Cc3cccc(O)c3C(=O)O2 |
Safety Data
| Hazard Codes | N |
| Risk Statements | |
| Safety Statements | |
| RIDADR | UN 3077 9 / PGIII |
| WGK Germany | 3 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Aquatic Acute 1 Aquatic Chronic 1 |