rel-(13xi,17xi,18xi,19xi)-28-hydroxy-5xi,9xi-lup-20(29)-en-3-yl acetate
Chemical Structure Depiction of
rel-(13xi,17xi,18xi,19xi)-28-hydroxy-5xi,9xi-lup-20(29)-en-3-yl acetate
rel-(13xi,17xi,18xi,19xi)-28-hydroxy-5xi,9xi-lup-20(29)-en-3-yl acetate
Compound characteristics
| Compound ID: | N032-0002 |
| Compound Name: | rel-(13xi,17xi,18xi,19xi)-28-hydroxy-5xi,9xi-lup-20(29)-en-3-yl acetate |
| Molecular Weight: | 484.76 |
| Molecular Formula: | C32 H52 O3 |
| Smiles: | CC(=C)C1CCC2(CC[C@]3(C)C(CCC4[C@@]5(C)CCC([C@](C)(C)C5CC[C@@]34C)OC(C)=O)C12)CO |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.8314 |
| logD: | 6.8314 |
| logSw: | -5.9334 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 37.802 |
| InChI Key: | XUDTWJGGQFHXCR-GQIACDMXSA-N |