3-Oxo-7α-hydroxy-5β-cholanoic Acid
- Product Name3-Oxo-7α-hydroxy-5β-cholanoic Acid
- CAS4185-00-6
- MFC24H38O4
- MW390.56
- EINECS
- MOL File4185-00-6.mol
Chemical Properties
| Melting point | 111-114 °C |
| Boiling point | 545.9±25.0 °C(Predicted) |
| Density | 1.124±0.06 g/cm3(Predicted) |
| storage temp. | Refrigerator |
| solubility | Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly) |
| form | Solid |
| pka | 4.76±0.10(Predicted) |
| color | White to Pale Yellow |
| InChIKey | KNVADAPHVNKTEP-CIGXQKLNSA-N |
| SMILES | [H][C@@]12[C@]([C@](CCC(C3)=O)(C)[C@]3([H])C[C@H]2O)([H])CC[C@@]4(C)[C@@]1([H])CC[C@]4([H])[C@]([H])(C)CCC(O)=O |
Safety Information
| WGK Germany | WGK 3 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2 Skin Sens. 1 |