Cammaconine
(1S,2R,3R,4S,5S,6S,8S,9S,13S,16S,17R)-11-ethyl-13-(hydroxymethyl)-6,16-dimethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,8-diol
Also Known As: Cammaconine|Columbiananine|(1S,2R,3R,4S,5S,6S,8S,9S,13S,16S,17R)-11-ethyl-13-(hydroxymethyl)-6,16-dimethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,8-diol|20-ethyl-4-(hydroxymethyl)-1,16-dimethoxyaconitane-8,14-diol|(17xi)-20-Ethyl-4-(hydroxymethyl)-1alpha,16beta-dimethoxy-13alpha-aconitane-8,14beta-diol|(1S,2R,3R,4S,5S,6S,8S,9S,13S,16S,17R)-11-ethyl-13-(hydroxymethyl)-6,16-dimethoxy-11-azahexacyclo(7.7.2.12,5.01,10.03,8.013,17)nonadecane-4,8-diol|(2S,3R,4S,5R,6R)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chromenylium-3-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
| Molecular Formula | C23H37NO5 |
|---|---|
| Molecular Weight | 407.26718 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 82.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 407.26718 |
| Monoisotopic Mass | 407.26718 |
| Heavy Atoms | 29 |
| Complexity | 705.0 |
Chemical Identifiers
| CAS Number | 32152-70-8 |
|---|---|
| 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)OC)CO |
| InChIKey | WCEASIFXIDFWHE-JPAZAREGSA-N |
Product Overview
Cammaconine (CAS 32152-70-8), with molecular formula C23H37NO5 and molecular weight 407.26718 g/mol. IUPAC: (1S,2R,3R,4S,5S,6S,8S,9S,13S,16S,17R)-11-ethyl-13-(hydroxymethyl)-6,16-dimethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,8-diol.
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