rel-(9xi,14xi,17xi,20xi)-3-hydroxy-12-oxo-8xi-cholan-24-oic acid
Chemical Structure Depiction of
rel-(9xi,14xi,17xi,20xi)-3-hydroxy-12-oxo-8xi-cholan-24-oic acid
rel-(9xi,14xi,17xi,20xi)-3-hydroxy-12-oxo-8xi-cholan-24-oic acid
Compound characteristics
| Compound ID: | S003-0006 |
| Compound Name: | rel-(9xi,14xi,17xi,20xi)-3-hydroxy-12-oxo-8xi-cholan-24-oic acid |
| Molecular Weight: | 390.56 |
| Molecular Formula: | C24 H38 O4 |
| Smiles: | [H]C12CCC3C(CC([C@]4(C)C(CCC34)C(C)CCC(O)=O)=O)[C@@]2(C)CC[C@H](C1)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.5324 |
| logD: | 0.7043 |
| logSw: | -3.7979 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.912 |
| InChI Key: | CVNYHSDFZXHMMJ-IOJXYCPMSA-N |