Base information
| Cat. No. | |
| CAS No. | 2685-64-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C21H29BrO4 |
| Molecular Weight | 425.357 |
| Exact Mass | 424.125 |
| XLogP3 | 4.0362 |
| Mr | 102.449 |
| PSA | 52.6 |
| Sequence | - |
| Atom number | 55 |
| Bond number | 59 |
| Ring number | 5 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | CC(=O)O[C@H]1CC[C@]23[C@@](C1)(Br)[C@H](OC2)C[C@@H]1[C@@H]3CC[C@]2([C@H]1CCC2=O)C |
