Details of Mesaconitine
| IUPAC | [(1S,2R,3R,4R,5R,6S,7S,8R,9R,13R,14R,16S,17S,18R)-8-acetyloxy-5,7,14-trihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate |
| Canonical Smiles | CC(=O)OC12C3C(CC(C3OC(=O)C4=CC=CC=C4)(C(C1O)OC)O)C56C(CC(C7(C5C(C2C6N(C7)C)OC)COC)O)OC |
| Inchi | XUHJBXVYNBQQBD-TUWOXVOMSA-N |
| PubChem ID | 441747 |
| Smiles | COCC12CN(C)C3C4C(OC)C1C3(C(OC)CC2O)C1CC2(O)C(OC)C(O)C4(OC(C)=O)C1C2OC(=O)c1ccccc1 |
ERROR opening https://cactus.nci.nih.gov/chemical/structure/COCC12CN%28C%29C3C4C%28OC%29C1C3%28C%28OC%29CC2O%29C1CC2%28O%29C%28OC%29C%28O%29C4%28OC%28C%29%3DO%29C1C2OC%28%3DO%29c1ccccc1/file?format=sdf&get3d=True -- COCC12CN%28C%29C3C4C%28OC%29C1C3%28C%28OC%29CC2O%29C1CC2%28O%29C%28OC%29C%28O%29C4%28OC%28C%29%3DO%29C1C2OC%28%3DO%29c1ccccc1 could not be loaded.
| Class | Pseudoalkaloids |
| Super Class | Terpenoids |
| Pathways | Alkaloids |