Obeticholic Impurity 12
- Product NameObeticholic Impurity 12
- CAS1885104-64-2
- MFC26H42O4
- MW418.62
- EINECS
- MOL File1885104-64-2.mol
Chemical Properties
| Boiling point | 570.7±40.0 °C(Predicted) |
| Density | 1.146±0.06 g/cm3(Predicted) |
| pka | 4.76±0.10(Predicted) |
| InChIKey | NJXXWLPIJNFPHG-IWCJPLIPNA-N |
| SMILES | C[C@]12CC[C@@H](O)C[C@@]1([H])/C(=C/C)/[C@@H](O)[C@@]1([H])[C@]3([H])CC[C@]([H])([C@H](C)CCC(=O)O)[C@@]3(C)CC[C@]21[H] |&1:1,4,7,12,14,16,20,22,29,33,r| |