methyl rel-(8xi,9xi,14xi)-3,7,12-trihydroxycholan-24-oate
Chemical Structure Depiction of
methyl rel-(8xi,9xi,14xi)-3,7,12-trihydroxycholan-24-oate
methyl rel-(8xi,9xi,14xi)-3,7,12-trihydroxycholan-24-oate
Compound characteristics
| Compound ID: | R056-0076 |
| Compound Name: | methyl rel-(8xi,9xi,14xi)-3,7,12-trihydroxycholan-24-oate |
| Molecular Weight: | 422.61 |
| Molecular Formula: | C25 H42 O5 |
| Smiles: | CC(CCC(=O)OC)[C@H]1CCC2C3C(C[C@@H]([C@]12C)O)[C@@]1(C)CC[C@H](CC1C[C@H]3O)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.7263 |
| logD: | 2.7263 |
| logSw: | -3.3774 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 68.091 |
| InChI Key: | DLYVTEULDNMQAR-LRZNCSRKSA-N |