rel-(13xi,17xi,18xi,19xi)-5xi,9xi-lup-20(29)-ene-3,28-diyl diformate
Chemical Structure Depiction of
rel-(13xi,17xi,18xi,19xi)-5xi,9xi-lup-20(29)-ene-3,28-diyl diformate
rel-(13xi,17xi,18xi,19xi)-5xi,9xi-lup-20(29)-ene-3,28-diyl diformate
Compound characteristics
| Compound ID: | N066-0061 |
| Compound Name: | rel-(13xi,17xi,18xi,19xi)-5xi,9xi-lup-20(29)-ene-3,28-diyl diformate |
| Molecular Weight: | 498.75 |
| Molecular Formula: | C32 H50 O4 |
| Smiles: | [H]C(=O)OC1CC[C@@]2(C)C(CC[C@]3(C)C2CCC2C4C(CCC4(CC[C@]23C)COC=O)C(C)=C)[C@]1(C)C |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.6031 |
| logD: | 6.6031 |
| logSw: | -6.1075 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 43.655 |
| InChI Key: | BCJRMIAGIXJFNK-GQIACDMXSA-N |