Base information
| Cat. No. | |
| CAS No. | 1105542-94-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C26H28D8O6 |
| Molecular Weight | 452.61 |
| Exact Mass | 452.301 |
| XLogP3 | 3.1069 |
| Mr | 119.99 |
| PSA | 93.06 |
| Sequence | - |
| Atom number | 68 |
| Bond number | 72 |
| Ring number | 5 |
| Rotor number | 5 |
| Residues number | 0 |
| Canonical smiles | OCC(=O)[C@@]12OC(O[C@@H]1C[C@@H]1[C@]2(C)C[C@H](O)[C@H]2[C@H]1CCC1=CC(=O)C=C[C@]21C)C(C(C(C([2H])[2H])([2H])[2H])([2H])[2H])([2H])[2H] |
