rel-(13xi,17xi,18xi)-3-oxo-5xi,9xi-lup-20(29)-en-28-yl acetate
Chemical Structure Depiction of
rel-(13xi,17xi,18xi)-3-oxo-5xi,9xi-lup-20(29)-en-28-yl acetate
rel-(13xi,17xi,18xi)-3-oxo-5xi,9xi-lup-20(29)-en-28-yl acetate
Compound characteristics
| Compound ID: | N064-0018 |
| Compound Name: | rel-(13xi,17xi,18xi)-3-oxo-5xi,9xi-lup-20(29)-en-28-yl acetate |
| Molecular Weight: | 482.75 |
| Molecular Formula: | C32 H50 O3 |
| Smiles: | CC(=C)[C@@H]1CCC2(CC[C@]3(C)C(CCC4[C@@]5(C)CCC([C@](C)(C)C5CC[C@@]34C)=O)C12)COC(C)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 7.2793 |
| logD: | 7.2793 |
| logSw: | -5.9376 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 34.958 |
| InChI Key: | KONAXQKGWYDUTG-CHPPNJAESA-N |