HuagongsheHuagongshe Chemistry Print Report · For research reference only
7beta-Hydroxycholesterol bishemisuccinate
Identifiers & Physical Properties
| CAS No. | 95615-70-6 |
|---|---|
| Molecular formula | C35H54O8 |
| Average molar mass | 602.8 g/mol |
| Monoisotopic mass | 602.38186868 g/mol |
| SMILES | CC(C)CCC[C@@H](C)C1CC[C@H]2[C@@H]3[C@@H](OC(=O)CCC(=O)O)C=C4C[C@@H](OC(=O)CCC(=O)O)CC[C@]4(C)[C@H]3CC[C@]12C |
| InChIKey | SJWLANHCKOJFTD-WSOOCFLQSA-N |
| PubChem CID | 175641 |
Chemical & Physical Properties
| XLogP | 7.4 |
|---|---|
| Topological polar surface area | 127 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 8 |
| Rotatable bonds | 15 |
| Heavy atoms | 43 |
| Formal charge | 0 |
| Complexity | 1,080 |