rel-(9xi,13xi,17xi,18xi)-5xi-19,28-epoxyoleanan-3-one
Chemical Structure Depiction of
rel-(9xi,13xi,17xi,18xi)-5xi-19,28-epoxyoleanan-3-one
rel-(9xi,13xi,17xi,18xi)-5xi-19,28-epoxyoleanan-3-one
Compound characteristics
| Compound ID: | N066-0059 |
| Compound Name: | rel-(9xi,13xi,17xi,18xi)-5xi-19,28-epoxyoleanan-3-one |
| Molecular Weight: | 440.71 |
| Molecular Formula: | C30 H48 O2 |
| Smiles: | C[C@]1(C)CCC23CC[C@]4(C)C(CCC5[C@@]6(C)CCC([C@@](C)(C)C6CC[C@@]45C)=O)C3C1OC2 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.3714 |
| logD: | 6.3714 |
| logSw: | -5.8356 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 23.0201 |
| InChI Key: | XGDVSJLOTVQNKY-UTBUAYKNSA-N |