ethyl rel-(8xi,10xi,13xi,14xi)-3,12-dihydroxycholan-24-oate
Chemical Structure Depiction of
ethyl rel-(8xi,10xi,13xi,14xi)-3,12-dihydroxycholan-24-oate
ethyl rel-(8xi,10xi,13xi,14xi)-3,12-dihydroxycholan-24-oate
Compound characteristics
| Compound ID: | N105-0100 |
| Compound Name: | ethyl rel-(8xi,10xi,13xi,14xi)-3,12-dihydroxycholan-24-oate |
| Molecular Weight: | 420.63 |
| Molecular Formula: | C26 H44 O4 |
| Smiles: | [H]C12CCC3([H])C4CC[C@@]([H])(C4(C)[C@H](C[C@]3([H])C2(C)CC[C@H](C1)O)O)[C@]([H])(C)CCC(=O)OCC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.4972 |
| logD: | 4.4972 |
| logSw: | -4.6848 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 52.055 |
| InChI Key: | ZFVNCIMEWULGEX-NBPJAJNBSA-N |