Base information
| Cat. No. | |
| CAS No. | 854038-96-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C21H28O6 |
| Molecular Weight | 376.443 |
| Exact Mass | 376.189 |
| XLogP3 | 2.5045 |
| Mr | 97.9511 |
| PSA | 96.97 |
| Sequence | - |
| Atom number | 55 |
| Bond number | 58 |
| Ring number | 4 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | CC(=O)O[C@H]1CCC([C@]2([C@@]1(C)[C@H]1Cc3occc3C(=O)[C@@H]1[C@H](C2)O)O)(C)C |
