Details of LAPPACONITINE
| IUPAC | [(1S,2S,3S,4S,5R,6S,8S,9R,13S,16S,17S)-11-ethyl-3,8-dihydroxy-4,6,16-trimethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl] 2-acetamidobenzoate |
| Canonical Smiles | CCN1CC2(CCC(C34C2CC(C31)C5(CC(C6CC4C5(C6OC)O)OC)O)OC)OC(=O)C7=CC=CC=C7NC(=O)C |
| Inchi | NWBWCXBPKTTZNQ-MUVXNFNYSA-N |
| PubChem ID | 5281279 |
| Smiles | CCN1CC2(OC(=O)c3ccccc3NC(C)=O)CCC(OC)C34C1C(CC23)C1(O)CC(OC)C2CC4C1(O)C2OC |
ERROR opening https://cactus.nci.nih.gov/chemical/structure/CCN1CC2%28OC%28%3DO%29c3ccccc3NC%28C%29%3DO%29CCC%28OC%29C34C1C%28CC23%29C1%28O%29CC%28OC%29C2CC4C1%28O%29C2OC/file?format=sdf&get3d=True -- CCN1CC2%28OC%28%3DO%29c3ccccc3NC%28C%29%3DO%29CCC%28OC%29C34C1C%28CC23%29C1%28O%29CC%28OC%29C2CC4C1%28O%29C2OC could not be loaded.
| Class | Pseudoalkaloids,Terpenoid alkaloids |
| Super Class | Terpenoids |
| Pathways | Alkaloids |