20-Ethyl-16-methoxy-4-(methoxymethyl)aconitane-1,8,14-triol
(1S,5S,6S,8S,13R,16S)-11-ethyl-6-methoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,8,16-triol
Also Known As: Isotalatizidine|20-Ethyl-16-methoxy-4-(methoxymethyl)aconitane-1,8,14-triol|(1S,5S,6S,8S,13R,16S)-11-Ethyl-6-methoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,8,16-triol|(1S,5S,6S,8S,13R,16S)-11-ethyl-6-methoxy-13-(methoxymethyl)-11-azahexacyclo(7.7.2.12,5.01,10.03,8.013,17)nonadecane-4,8,16-triol|(5xi,9xi,10xi,17xi)-20-Ethyl-16beta-methoxy-4beta-(methoxymethyl)-13alpha-aconitane-1alpha,8,14-triol
| Molecular Formula | C23H37NO5 |
|---|---|
| Molecular Weight | 407.26718 g/mol |
| LogP | 0.8771 |
| Topological Polar Surface Area | 82.39 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 407.26718 |
| Monoisotopic Mass | 407.26718 |
| Heavy Atoms | 29 |
| Complexity | 704.7557 |
Chemical Identifiers
| CAS Number | 7633-68-3 |
|---|---|
| SMILES | CCN1C[C@]2(CC[C@@H]([C@@]34C2CC(C31)[C@]5(C[C@@H]([C@H]6CC4C5C6O)OC)O)O)COC |
Product Overview
20-Ethyl-16-methoxy-4-(methoxymethyl)aconitane-1,8,14-triol (CAS 7633-68-3), with molecular formula C23H37NO5 and molecular weight 407.26718 g/mol. IUPAC: (1S,5S,6S,8S,13R,16S)-11-ethyl-6-methoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,8,16-triol.