rel-(9xi,10xi)-20-ethyl-6,14,16-trimethoxy-4-(methoxymethyl)-5xi-aconitane-1,7,8-triol
Chemical Structure Depiction of
rel-(9xi,10xi)-20-ethyl-6,14,16-trimethoxy-4-(methoxymethyl)-5xi-aconitane-1,7,8-triol
rel-(9xi,10xi)-20-ethyl-6,14,16-trimethoxy-4-(methoxymethyl)-5xi-aconitane-1,7,8-triol
Compound characteristics
| Compound ID: | N060-0120 |
| Compound Name: | rel-(9xi,10xi)-20-ethyl-6,14,16-trimethoxy-4-(methoxymethyl)-5xi-aconitane-1,7,8-triol |
| Molecular Weight: | 467.6 |
| Molecular Formula: | C25 H41 N O7 |
| Smiles: | CCN1C[C@@]2(CC[C@@H]([C@@]34C5C[C@@H]6[C@H](C[C@@](C5[C@H]6OC)([C@]([C@@H]14)([C@H](C23)OC)O)O)OC)O)COC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.0313 |
| logD: | -0.2311 |
| logSw: | -1.6885 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 78.159 |
| InChI Key: | JVBLTQQBEQQLEV-SAVKDBDASA-N |