methyl rel-(8xi,10xi,13xi,14xi)-3,12-dihydroxycholan-24-oate
Chemical Structure Depiction of
methyl rel-(8xi,10xi,13xi,14xi)-3,12-dihydroxycholan-24-oate
methyl rel-(8xi,10xi,13xi,14xi)-3,12-dihydroxycholan-24-oate
Compound characteristics
| Compound ID: | N084-1022 |
| Compound Name: | methyl rel-(8xi,10xi,13xi,14xi)-3,12-dihydroxycholan-24-oate |
| Molecular Weight: | 406.61 |
| Molecular Formula: | C25 H42 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)OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.0406 |
| logD: | 4.0406 |
| logSw: | -4.5188 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 52.475 |
| InChI Key: | ZHUOOEGSSFNTNP-KBBFITSYSA-N |