rel-(10xi,13xi,14xi,17xi)-3-(acetyloxy)-5,14-dihydroxy-19-nitrilocard-20(22)-enolide
Chemical Structure Depiction of
rel-(10xi,13xi,14xi,17xi)-3-(acetyloxy)-5,14-dihydroxy-19-nitrilocard-20(22)-enolide
rel-(10xi,13xi,14xi,17xi)-3-(acetyloxy)-5,14-dihydroxy-19-nitrilocard-20(22)-enolide
Compound characteristics
| Compound ID: | 0449-0077 |
| Compound Name: | rel-(10xi,13xi,14xi,17xi)-3-(acetyloxy)-5,14-dihydroxy-19-nitrilocard-20(22)-enolide |
| Molecular Weight: | 443.54 |
| Molecular Formula: | C25 H33 N O6 |
| Smiles: | [H][C@@]12CCC3(C)C(CCC3([C@]2([H])CCC2(CC(CCC12C#N)OC(C)=O)O)O)C1COC(C=1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.4473 |
| logD: | 1.4473 |
| logSw: | -3.1873 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.867 |
| InChI Key: | FHVFCXBTGPBRDH-BWHPENOJSA-N |