HuagongsheHuagongshe Chemistry Print Report · For research reference only
Cholesta-5,20,24-trien-3-ol, (3beta)-
Cholesta-5,20,24-trien-3β-ol · Cholesta-5,20,24-trien-3-ol, (3β)-
Identifiers & Physical Properties
| CAS No. | 41083-97-0 |
|---|---|
| Molecular formula | C27H42O |
| Average molar mass | 382.6 g/mol |
| SMILES | C=C(CCC=C(C)C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |
| InChIKey | SCDYIGOIIPVCJC-PKGHVVLQSA-N |
Chemical & Physical Properties
| XLogP | 8.1 |
|---|---|
| Topological polar surface area | 20.2 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 1 |
| Rotatable bonds | 4 |
| Heavy atoms | 28 |
| Formal charge | 0 |
| Complexity | 680 |
| Boiling point | 487.3±44.0 °C(Predicted) |
| Density | 1.01±0.1 g/cm3(Predicted) |
| pKa (acidity coefficient) | 15.03±0.70(Predicted) |