rel-(13xi,17xi,18xi,19xi)-3-hydroxy-5xi,9xi-lup-20(29)-en-28-al
Chemical Structure Depiction of
rel-(13xi,17xi,18xi,19xi)-3-hydroxy-5xi,9xi-lup-20(29)-en-28-al
rel-(13xi,17xi,18xi,19xi)-3-hydroxy-5xi,9xi-lup-20(29)-en-28-al
Compound characteristics
| Compound ID: | N066-0070 |
| Compound Name: | rel-(13xi,17xi,18xi,19xi)-3-hydroxy-5xi,9xi-lup-20(29)-en-28-al |
| Molecular Weight: | 440.71 |
| Molecular Formula: | C30 H48 O2 |
| Smiles: | CC(=C)C1CCC2(CC[C@]3(C)C(CCC4[C@@]5(C)CCC([C@@](C)(C)C5CC[C@@]34C)O)C12)C=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.4918 |
| logD: | 6.4918 |
| logSw: | -6.099 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 30.254 |
| InChI Key: | FELCJAPFJOPHSD-XAXUJBRGSA-N |