rel-(2E,5xi,13xi,17xi,18xi,19xi)-2-[(2-methoxyphenyl)methylidene]-3-oxo-9xi-lup-20(29)-en-28-oic acid
Chemical Structure Depiction of
rel-(2E,5xi,13xi,17xi,18xi,19xi)-2-[(2-methoxyphenyl)methylidene]-3-oxo-9xi-lup-20(29)-en-28-oic acid
rel-(2E,5xi,13xi,17xi,18xi,19xi)-2-[(2-methoxyphenyl)methylidene]-3-oxo-9xi-lup-20(29)-en-28-oic acid
Compound characteristics
| Compound ID: | N069-0079 |
| Compound Name: | rel-(2E,5xi,13xi,17xi,18xi,19xi)-2-[(2-methoxyphenyl)methylidene]-3-oxo-9xi-lup-20(29)-en-28-oic acid |
| Molecular Weight: | 572.83 |
| Molecular Formula: | C38 H52 O4 |
| Smiles: | CC(=C)C1CCC2(CC[C@]3(C)C(CCC4[C@@]5(C)C/C(=C\c6ccccc6OC)C([C@@](C)(C)C5CC[C@@]34C)=O)C12)C(O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 8.5239 |
| logD: | 6.3874 |
| logSw: | -5.9964 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.392 |
| InChI Key: | QWQHLLFAUQXEKW-XDXPKKPWSA-N |