rel-(10xi,13xi,14xi,17xi,19E)-19-{2-[(4-fluorophenyl)acetyl]hydrazinylidene}-3,5,14-trihydroxycard-20(22)-enolide
Chemical Structure Depiction of
rel-(10xi,13xi,14xi,17xi,19E)-19-{2-[(4-fluorophenyl)acetyl]hydrazinylidene}-3,5,14-trihydroxycard-20(22)-enolide
rel-(10xi,13xi,14xi,17xi,19E)-19-{2-[(4-fluorophenyl)acetyl]hydrazinylidene}-3,5,14-trihydroxycard-20(22)-enolide
Compound characteristics
| Compound ID: | K087-0122 |
| Compound Name: | rel-(10xi,13xi,14xi,17xi,19E)-19-{2-[(4-fluorophenyl)acetyl]hydrazinylidene}-3,5,14-trihydroxycard-20(22)-enolide |
| Molecular Weight: | 554.66 |
| Molecular Formula: | C31 H39 F N2 O6 |
| Smiles: | [H][C@@]12CCC3(C)C(CCC3([C@]2([H])CCC2(C[C@@H](CCC12/C=N/NC(Cc1ccc(cc1)F)=O)O)O)O)C1COC(C=1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.2636 |
| logD: | 2.2622 |
| logSw: | -3.5973 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 103.37 |
| InChI Key: | ZVUGNPRMQLKNSZ-UKDZOOARSA-N |