rel-(2Z,13xi,17xi,18xi)-2-[(furan-2-yl)methylidene]-3-oxo-5xi,9xi-lup-20(29)-en-28-oic acid
Chemical Structure Depiction of
rel-(2Z,13xi,17xi,18xi)-2-[(furan-2-yl)methylidene]-3-oxo-5xi,9xi-lup-20(29)-en-28-oic acid
rel-(2Z,13xi,17xi,18xi)-2-[(furan-2-yl)methylidene]-3-oxo-5xi,9xi-lup-20(29)-en-28-oic acid
Compound characteristics
| Compound ID: | N069-0081 |
| Compound Name: | rel-(2Z,13xi,17xi,18xi)-2-[(furan-2-yl)methylidene]-3-oxo-5xi,9xi-lup-20(29)-en-28-oic acid |
| Molecular Weight: | 532.77 |
| Molecular Formula: | C35 H48 O4 |
| Smiles: | CC(=C)[C@@H]1CCC2(CC[C@]3(C)C(CCC4[C@@]5(C)C/C(=C/c6ccco6)C([C@](C)(C)C5CC[C@@]34C)=O)C12)C(O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 7.5671 |
| logD: | 5.4306 |
| logSw: | -5.9135 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.511 |
| InChI Key: | OAZAZBRWAMEGCZ-YHHIIZFPSA-N |