rel-(5xi,9xi,13xi,17xi,18xi)-19,28-epoxyoleanane-3,28-dione
Chemical Structure Depiction of
rel-(5xi,9xi,13xi,17xi,18xi)-19,28-epoxyoleanane-3,28-dione
rel-(5xi,9xi,13xi,17xi,18xi)-19,28-epoxyoleanane-3,28-dione
Compound characteristics
| Compound ID: | N066-0060 |
| Compound Name: | rel-(5xi,9xi,13xi,17xi,18xi)-19,28-epoxyoleanane-3,28-dione |
| Molecular Weight: | 454.69 |
| Molecular Formula: | C30 H46 O3 |
| Smiles: | C[C@@]1(C)C2CC[C@]3(C)C(CCC4C5C6[C@](C)(C)CCC5(CC[C@@]34C)C(=O)O6)[C@@]2(C)CCC1=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.0841 |
| logD: | 6.0841 |
| logSw: | -5.7762 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 35.572 |
| InChI Key: | NJVHLJAPSJFFSB-FQGVILDBSA-N |