rel-(9xi,13xi,17xi,18xi)-3-oxo-5xi-lup-20(29)-en-28-oic acid
Chemical Structure Depiction of
rel-(9xi,13xi,17xi,18xi)-3-oxo-5xi-lup-20(29)-en-28-oic acid
rel-(9xi,13xi,17xi,18xi)-3-oxo-5xi-lup-20(29)-en-28-oic acid
Compound characteristics
| Compound ID: | N064-0019 |
| Compound Name: | rel-(9xi,13xi,17xi,18xi)-3-oxo-5xi-lup-20(29)-en-28-oic acid |
| Molecular Weight: | 454.69 |
| Molecular Formula: | C30 H46 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)C(O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.5018 |
| logD: | 4.3654 |
| logSw: | -5.8318 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.135 |
| InChI Key: | SLJTWDNVZKIDAU-DGENATDLSA-N |