Base information
| Cat. No. | |
| CAS No. | 51771-49-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C22H31ClO8 |
| Molecular Weight | 458.93 |
| Exact Mass | 458.171 |
| XLogP3 | 2.863 |
| Mr | 113.628 |
| PSA | 108.36 |
| Sequence | - |
| Atom number | 62 |
| Bond number | 63 |
| Ring number | 2 |
| Rotor number | 12 |
| Residues number | 0 |
| Canonical smiles | ClC[C@@]1(O)[C@@H](OC(=O)CC(C)C)C=C2[C@@H]1[C@@H](OC=C2COC(=O)C)OC(=O)CC(C)C |
