methyl 3-(benzoyloxy)-12-hydroxycholan-24-oate
Chemical Structure Depiction of
methyl 3-(benzoyloxy)-12-hydroxycholan-24-oate
methyl 3-(benzoyloxy)-12-hydroxycholan-24-oate
Compound characteristics
| Compound ID: | 8011-0430 |
| Compound Name: | methyl 3-(benzoyloxy)-12-hydroxycholan-24-oate |
| Molecular Weight: | 510.72 |
| Molecular Formula: | C32 H46 O5 |
| Smiles: | CC(CCC(=O)OC)C1CCC2C3CCC4C[C@@H](CCC4(C)C3C[C@@H](C12C)O)OC(c1ccccc1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.7807 |
| logD: | 5.7807 |
| logSw: | -5.5788 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.645 |
| InChI Key: | WODXMQWAKLTMLB-UYBKUEDHSA-N |