Base information
| Cat. No. | |
| CAS No. | 168770-31-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C38H53NaO6 |
| Molecular Weight | 628.814 |
| Exact Mass | 628.374 |
| XLogP3 | 8.909 |
| Mr | 174.364 |
| PSA | 100.9 |
| Sequence | - |
| Atom number | 98 |
| Bond number | 102 |
| Ring number | 6 |
| Rotor number | 5 |
| Residues number | 0 |
| Canonical smiles | OC(=O)c1ccccc1C(=O)O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]1([C@@H]2CC=C2[C@@]1(C)CC[C@@]1([C@H]2CC(C)(C)CC1)C(=O)O)C)C.[NaH] |
