methyl 3-(benzoyloxy)-12-oxocholan-24-oate
Chemical Structure Depiction of
methyl 3-(benzoyloxy)-12-oxocholan-24-oate
methyl 3-(benzoyloxy)-12-oxocholan-24-oate
Compound characteristics
| Compound ID: | 8011-0431 |
| Compound Name: | methyl 3-(benzoyloxy)-12-oxocholan-24-oate |
| Molecular Weight: | 508.7 |
| Molecular Formula: | C32 H44 O5 |
| Smiles: | CC(CCC(=O)OC)C1CCC2C3CCC4C[C@@H](CCC4(C)C3CC(C12C)=O)OC(c1ccccc1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.1349 |
| logD: | 6.1349 |
| logSw: | -5.6455 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 54.277 |
| InChI Key: | IHSLYRNKWRVRNA-AJVFOKMFSA-N |