Dolaconine
(11-ethyl-8-hydroxy-6,16-dimethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl) acetate
Also Known As: Dolaconine|(11-ethyl-8-hydroxy-6,16-dimethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl) acetate|20-ethyl-8-hydroxy-1,16-dimethoxyaconitan-14-yl acetate|Aconitane-8,14-diol, 20-ethyl-1,16-dimethoxy-, 14-acetate, (1alpha,14alpha,16beta)-|(11-ethyl-8-hydroxy-6,16-dimethoxy-11-azahexacyclo(7.7.2.12,5.01,10.03,8.013,17)nonadecan-4-yl) acetate
| Molecular Formula | C24H37NO5 |
|---|---|
| Molecular Weight | 419.26718 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 68.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 419.26718 |
| Monoisotopic Mass | 419.26718 |
| Heavy Atoms | 30 |
| Complexity | 745.0 |
Chemical Identifiers
| CAS Number | 82841-75-6 |
|---|---|
| SMILES | CCN1CC2CCC(C34C2CC(C31)C5(CC(C6CC4C5C6OC(=O)C)OC)O)OC |
| InChIKey | MLYKFKUTKJPICF-UHFFFAOYSA-N |
Product Overview
Dolaconine (CAS 82841-75-6), with molecular formula C24H37NO5 and molecular weight 419.26718 g/mol. IUPAC: (11-ethyl-8-hydroxy-6,16-dimethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl) acetate.
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