Details of Mithaconitine
| IUPAC | [(1S,2R,3S,4R,5S,6R,9R,10R,13R,14R,16S,17S,18R)-11-ethyl-5,14-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadec-7-en-4-yl] benzoate |
| Canonical Smiles | CCN1C[C@@]2([C@@H](C[C@@H]([C@@]34[C@@H]2[C@H]([C@@H]([C@H]31)C5=C[C@H]([C@]6(C[C@@H]4[C@@H]5[C@H]6OC(=O)C7=CC=CC=C7)O)OC)OC)OC)O)COC |
| Inchi | CCBSMPVKKCPBNN-WUJCJJIFSA-N |
| PubChem ID | 101419698 |
| Smiles | CCN1C[C@@]2(COC)[C@H]3[C@@H](OC)[C@@H]4C5=C[C@@H](OC)[C@@]6(O)C[C@H]([C@@H]5[C@H]6OC(=O)c5ccccc5)[C@@]3([C@@H](OC)C[C@H]2O)[C@@H]41 |
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| Class | Pseudoalkaloids,Terpenoid alkaloids |
| Super Class | Terpenoids |
| Pathways | Alkaloids |