rel-(10xi,13xi,14xi,17xi)-3,5,14-trihydroxy-19-oxocard-20(22)-enolide
Chemical Structure Depiction of
rel-(10xi,13xi,14xi,17xi)-3,5,14-trihydroxy-19-oxocard-20(22)-enolide
rel-(10xi,13xi,14xi,17xi)-3,5,14-trihydroxy-19-oxocard-20(22)-enolide
Compound characteristics
| Compound ID: | 0407-0016 |
| Compound Name: | rel-(10xi,13xi,14xi,17xi)-3,5,14-trihydroxy-19-oxocard-20(22)-enolide |
| Molecular Weight: | 404.5 |
| Molecular Formula: | C23 H32 O6 |
| Smiles: | [H][C@@]12CCC3(C)C(CCC3([C@]2([H])CCC2(C[C@@H](CCC12C=O)O)O)O)C1COC(C=1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.694 |
| logD: | 0.694 |
| logSw: | -2.7852 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 82.427 |
| InChI Key: | ODJLBQGVINUMMR-RHHKMILDSA-N |