rel-(5xi,9xi,10xi)-20-ethyl-16-methoxy-4-methylaconitane-1,8,14-triol
Chemical Structure Depiction of
rel-(5xi,9xi,10xi)-20-ethyl-16-methoxy-4-methylaconitane-1,8,14-triol
rel-(5xi,9xi,10xi)-20-ethyl-16-methoxy-4-methylaconitane-1,8,14-triol
Compound characteristics
| Compound ID: | N060-0118 |
| Compound Name: | rel-(5xi,9xi,10xi)-20-ethyl-16-methoxy-4-methylaconitane-1,8,14-triol |
| Molecular Weight: | 413.98 |
| Molecular Formula: | C22 H35 N O4 |
| Salt: | HCl |
| Smiles: | CCN1C[C@]2(C)CC[C@@H]([C@@]34C5C[C@H]6[C@@H](C5[C@](C[C@@H]6OC)([C@@H](CC23)[C@@H]14)O)O)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.2612 |
| logD: | -0.2098 |
| logSw: | -2.435 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 56.552 |
| InChI Key: | HKQZUYOVMYOFIT-PHSWLHCFSA-N |