Allocholic acid
- Product NameAllocholic acid
- CAS2464-18-8
- CBNumberCB7108761
- MFC24H40O5
- MW408.57
- MDL NumberMFCD28359001
- MOL File2464-18-8.mol
Chemical Properties
| Melting point: | 250-251 |
| Boiling point: | 583.9±50.0 °C(Predicted) |
| Density | 1.184±0.06 g/cm3(Predicted) |
| storage temp. | -20°C Freezer |
| solubility | DMSO (Slightly), Ethanol (Slightly, Sonicated), Methanol (Slightly, Heated) |
| form | Solid |
| pka | 4.76±0.10(Predicted) |
| color | White to Off-White |
| InChIKey | BHQCQFFYRZLCQQ-PGHAKIONSA-N |
| SMILES | O[C@H]1[C@@H]2[C@@H]([C@@]4([C@@H](C1)C[C@@H](CC4)O)C)C[C@@H]([C@]3([C@H]2CC[C@@H]3[C@@H](CCC(=O)O)C)C)O |