rel-(10xi,13xi,14xi,17xi,19E)-3,5,14-trihydroxy-19-[2-(2-methylbenzoyl)hydrazinylidene]card-20(22)-enolide
Chemical Structure Depiction of
rel-(10xi,13xi,14xi,17xi,19E)-3,5,14-trihydroxy-19-[2-(2-methylbenzoyl)hydrazinylidene]card-20(22)-enolide
rel-(10xi,13xi,14xi,17xi,19E)-3,5,14-trihydroxy-19-[2-(2-methylbenzoyl)hydrazinylidene]card-20(22)-enolide
Compound characteristics
| Compound ID: | K087-0111 |
| Compound Name: | rel-(10xi,13xi,14xi,17xi,19E)-3,5,14-trihydroxy-19-[2-(2-methylbenzoyl)hydrazinylidene]card-20(22)-enolide |
| Molecular Weight: | 536.67 |
| Molecular Formula: | C31 H40 N2 O6 |
| Smiles: | [H][C@@]12CCC3(C)C(CCC3([C@]2([H])CCC2(C[C@@H](CCC12/C=N/NC(c1ccccc1C)=O)O)O)O)C1COC(C=1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.4883 |
| logD: | 2.4858 |
| logSw: | -3.6044 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 103.584 |
| InChI Key: | JTBXPVNOEVMCSX-XZCZZPKJSA-N |