Agaric acid
- Product NameAgaric acid
- CAS666-99-9
- CBNumberCB6201951
- MFC22H40O7
- MW416.55
- EINECS211-566-5
- MDL NumberMFCD00002665
- MOL File666-99-9.mol
Chemical Properties
| Melting point: | 142° (dec) |
| alpha | D19 -9° (NaOH) |
| Boiling point: | 454.85°C (rough estimate) |
| Density | 1.0867 (rough estimate) |
| refractive index | 1.5300 (estimate) |
| storage temp. | -20°C Freezer, Under inert atmosphere |
| solubility | Aqueous Base (Slightly), DMSO (Slightly) |
| form | Solid |
| pka | 2.93±0.36(Predicted) |
| color | Pale Beige |
| Merck | 13,186 |
| InChI | 1S/C22H40O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(20(25)26)22(29,21(27)28)17-19(23)24/h18,29H,2-17H2,1H3,(H,23,24)(H,25,26)(H,27,28) |
| InChIKey | HZLCGUXUOFWCCN-UHFFFAOYSA-N |
| SMILES | CCCCCCCCCCCCCCCCC(C(O)=O)C(O)(CC(O)=O)C(O)=O || CCCCCCCCCCCCCCCCC(C(O)=O)C(O)(CC(O)=O)C(O)=O |