Carmichaeline
(1S,2R,3R,4S,5S,6S,8S,9S,13R,16S,17R)-11-ethyl-6-methoxy-13-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,8,16-triol
Also Known As: Karacoline|Karakoline|Carmicheline|Carmichaeline|20-ethyl-16-methoxy-4-methylaconitane-1,8,14-triol|Aconitane-1,8,14-triol, 20-ethyl-16-methoxy-4-methyl-, (1-alpha,14-alpha,16-beta)-|20-ethyl-16beta-methoxy-4-methylaconitane-1alpha,8,14alpha-triol|(1S,2R,3R,4S,5S,6S,8S,9S,13R,16S,17R)-11-ethyl-6-methoxy-13-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,8,16-triol|20-Ethyl-16-beta-methoxy-4-methylaconitane-1-alpha,8,14-alpha-triol|(17xi)-20-Ethyl-16beta-methoxy-4-methyl-13alpha-aconitane-1alpha,8,14beta-triol
| Molecular Formula | C22H35NO4 |
|---|---|
| Molecular Weight | 377.25662 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 73.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 377.25662 |
| Monoisotopic Mass | 377.25662 |
| Heavy Atoms | 27 |
| Complexity | 673.0 |
Chemical Identifiers
| CAS Number | 39089-30-0 |
|---|---|
| SMILES | CCN1C[C@@]2(CC[C@@H]([C@@]34[C@@H]2C[C@@H](C31)[C@]5(C[C@@H]([C@H]6C[C@@H]4[C@@H]5[C@H]6O)OC)O)O)C |
| InChIKey | HKQZUYOVMYOFIT-VHNBHZRZSA-N |
Product Overview
Carmichaeline (CAS 39089-30-0), with molecular formula C22H35NO4 and molecular weight 377.25662 g/mol. IUPAC: (1S,2R,3R,4S,5S,6S,8S,9S,13R,16S,17R)-11-ethyl-6-methoxy-13-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,8,16-triol.
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