HuagongsheHuagongshe Chemistry Print Report · For research reference only
18,22-Cycloergosta-6,8(14)-diene-3,5,9,23-tetrol
Identifiers & Physical Properties
| CAS No. | 157414-00-1 |
|---|---|
| Molecular formula | C28H44O4 |
| Average molar mass | 444.6 g/mol |
| Monoisotopic mass | 444.32395988 g/mol |
| SMILES | CC(C)C(C)C(O)C1CC23CC[C@@]4(O)C(=C2CCC3C1C)C=CC1(O)CC(O)CC[C@@]14C |
| InChIKey | WEAFTKGZNMAOMY-YPDQMYOLSA-N |
| PubChem CID | 190875 |
| DTXSID | DTXSID00935666 |
Chemical & Physical Properties
| XLogP | 3.6 |
|---|---|
| Topological polar surface area | 80.9 |
| Hydrogen bond donors | 4 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 3 |
| Heavy atoms | 32 |
| Formal charge | 0 |
| Complexity | 846 |