4-{[rel-(8xi,9xi,14xi)-androstan-17-yl]oxy}-4-oxobutanoic acid
Chemical Structure Depiction of
4-{[rel-(8xi,9xi,14xi)-androstan-17-yl]oxy}-4-oxobutanoic acid
4-{[rel-(8xi,9xi,14xi)-androstan-17-yl]oxy}-4-oxobutanoic acid
Compound characteristics
| Compound ID: | 8011-0437 |
| Compound Name: | 4-{[rel-(8xi,9xi,14xi)-androstan-17-yl]oxy}-4-oxobutanoic acid |
| Molecular Weight: | 376.54 |
| Molecular Formula: | C23 H36 O4 |
| Smiles: | C[C@]12CCCCC1CCC1C2CC[C@@]2(C)C1CC[C@@H]2OC(CCC(O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.5455 |
| logD: | 1.2757 |
| logSw: | -5.1967 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.453 |
| InChI Key: | BQOYUBWEBGKHDA-XHEJAPSKSA-N |