Base information
| Cat. No. | |
| CAS No. | 751-94-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C31H49NaO6 |
| Molecular Weight | 540.707 |
| Exact Mass | 540.343 |
| XLogP3 | 5.7786 |
| Mr | 147.439 |
| PSA | 104.06 |
| Sequence | - |
| Atom number | 87 |
| Bond number | 89 |
| Ring number | 4 |
| Rotor number | 6 |
| Residues number | 0 |
| Canonical smiles | CC(=O)O[C@H]1C[C@]2([C@H](/C/1=C(/C(=O)O)\CCC=C(C)C)C[C@H]([C@@H]1[C@]2(C)CC[C@@H]2[C@]1(C)CC[C@H]([C@H]2C)O)O)C.[NaH] |
