rel-(5xi,9xi,10xi,13xi,17xi)-20-ethyl-1,16-dimethoxy-4-(methoxymethyl)aconitane-8,14-diol
Chemical Structure Depiction of
rel-(5xi,9xi,10xi,13xi,17xi)-20-ethyl-1,16-dimethoxy-4-(methoxymethyl)aconitane-8,14-diol
rel-(5xi,9xi,10xi,13xi,17xi)-20-ethyl-1,16-dimethoxy-4-(methoxymethyl)aconitane-8,14-diol
Compound characteristics
| Compound ID: | N094-0027 |
| Compound Name: | rel-(5xi,9xi,10xi,13xi,17xi)-20-ethyl-1,16-dimethoxy-4-(methoxymethyl)aconitane-8,14-diol |
| Molecular Weight: | 421.58 |
| Molecular Formula: | C24 H39 N O5 |
| Smiles: | CCN1C[C@@]2(CC[C@@H](C34C5CC6[C@@H](C5[C@](C[C@@H]6OC)(C(CC23)C14)O)O)OC)COC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.2182 |
| logD: | 0.3949 |
| logSw: | -2.2363 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.361 |
| InChI Key: | BDCURAWBZJMFIK-SYXAMJFCSA-N |