rel-(10xi,13xi,14xi,17xi)-3,14-dihydroxy-19-oxocarda-4,20(22)-dienolide
Chemical Structure Depiction of
rel-(10xi,13xi,14xi,17xi)-3,14-dihydroxy-19-oxocarda-4,20(22)-dienolide
rel-(10xi,13xi,14xi,17xi)-3,14-dihydroxy-19-oxocarda-4,20(22)-dienolide
Compound characteristics
| Compound ID: | 0449-0100 |
| Compound Name: | rel-(10xi,13xi,14xi,17xi)-3,14-dihydroxy-19-oxocarda-4,20(22)-dienolide |
| Molecular Weight: | 386.49 |
| Molecular Formula: | C23 H30 O5 |
| Smiles: | [H][C@@]12CCC3(C)C(CCC3([C@]2([H])CCC2=CC(CCC12C=O)O)O)C1COC(C=1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.3844 |
| logD: | 1.3844 |
| logSw: | -3.2721 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.409 |
| InChI Key: | JPIDFRQBAGAXJM-LNRNGKIQSA-N |