HuagongsheHuagongshe Chemistry Print Report · For research reference only
3,11alpha-Diacetoxy-estra-3,5-dien-17-one
Identifiers & Physical Properties
| Molecular formula | C22H28O5 |
|---|---|
| Average molar mass | 372.5 g/mol |
| SMILES | CC(=O)OC1=CC2=CC[C@@H]3[C@H]([C@H](OC(C)=O)C[C@]4(C)C(=O)CC[C@@H]34)[C@H]2CC1 |
| InChIKey | AKSNITUARIERNI-FNSJINJNSA-N |
| PubChem CID | 69918053 |
Chemical & Physical Properties
| XLogP | 2.4 |
|---|---|
| Topological polar surface area | 69.7 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 5 |
| Rotatable bonds | 4 |
| Heavy atoms | 27 |
| Formal charge | 0 |
| Complexity | 748 |