Base information
| Cat. No. | |
| CAS No. | 1253-43-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C21H30O8S |
| Molecular Weight | 442.523 |
| Exact Mass | 442.166 |
| XLogP3 | 2.6895 |
| Mr | 107.993 |
| PSA | 146.58 |
| Sequence | - |
| Atom number | 60 |
| Bond number | 63 |
| Ring number | 4 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | O=C1CC[C@]2(C(=C1)CC[C@@H]1[C@@H]2[C@@H](O)C[C@]2([C@H]1CC[C@@]2(O)C(=O)COS(=O)(=O)O)C)C |
