rel-(9xi,13xi,17xi,18xi,19xi)-3-hydroxy-5xi-lup-20(29)-en-28-oic acid
Chemical Structure Depiction of
rel-(9xi,13xi,17xi,18xi,19xi)-3-hydroxy-5xi-lup-20(29)-en-28-oic acid
rel-(9xi,13xi,17xi,18xi,19xi)-3-hydroxy-5xi-lup-20(29)-en-28-oic acid
Compound characteristics
| Compound ID: | N066-0053 |
| Compound Name: | rel-(9xi,13xi,17xi,18xi,19xi)-3-hydroxy-5xi-lup-20(29)-en-28-oic acid |
| Molecular Weight: | 456.71 |
| Molecular Formula: | C30 H48 O3 |
| Smiles: | CC(=C)C1CCC2(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: | 6.1606 |
| logD: | 4.0242 |
| logSw: | -5.7254 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 44.503 |
| InChI Key: | QGJZLNKBHJESQX-UVEOZKHESA-N |