PRODUCT Properties
| Melting point: | 140-141 °C |
| Boiling point: | 509.3±23.0 °C(Predicted) |
| Density | 1.069±0.06 g/cm3(Predicted) |
| storage temp. | Refrigerator |
| solubility | Chloroform (Slightly), Methanol (Slightly) |
| form | Solid |
| pka | 4.76±0.10(Predicted) |
| color | White to Pale Yellow |
| InChIKey | KIQFUORWRVZTHT-OPTMKGCMSA-N |
| SMILES | [H][C@@]12[C@]([C@](CCC(C3)=O)(C)[C@]3([H])CC2)([H])CC[C@@]4(C)[C@@]1([H])CC[C@]4([H])[C@]([H])(C)CCC(O)=O |
| CAS DataBase Reference | 1553-56-6 |
Description and Uses
3-Oxo-5β-cholanoic Acid is a steroid compound with pharmacological activity. It is a bile acid. Also used in the preparation of lithocholic acid derivatives used as proteasome regulators.
Safety
| Symbol(GHS) |  GHS07 |
| Signal word | Warning |
| Hazard statements | H319-H315 |
| Precautionary statements | P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P |
| WGK Germany | 3 |
| RTECS | FZ2281400 |
| HS Code | 2918.30.9000 |
| Storage Class | 11 - Combustible Solids |
