CAS 70578-24-4 appears in our catalog under these names: Yunnaconitine, >95% (HPLC), Yunaconitine, Yunaconitine/ 98.54% (existing batch purity), Yunaconitine, 99.63%. Offered by: TRC, GLPBio, TargetMol, Biosynth, MedChemExpress. Available pack sizes: 10mg, 1mg, 20mg, 5mg, 25mg, 50mg, 100mg, 2mg.
Yunaconitine is a diterpene alkaloid with formula C35H49NO11 that is isolated from several Aconitum species. It has a role as an antifeedant, a xenobiotic, a phytotoxin, a plant metabolite and a human urinary metabolite. It is a diterpene alkaloid, a tertiary alcohol, an aromatic ether, a secondary alcohol, a bridged compound, a benzoate ester, an organic heteropolycyclic compound, a polyether, an acetate ester and a tertiary amino compound. It derives from a hydride of an aconitane.
Source: ChEBI
| Molecular formula | C35H49NO11 |
|---|---|
| Molecular weight | 659.8 g/mol |
| IUPAC name | [(1S,2R,3R,4R,5S,6S,8R,9R,13R,14R,16S,17S,18R)-8-acetyloxy-11-ethyl-5,14-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] 4-methoxybenzoate |
| InChIKey | LLEMSCWAKNQHHA-SQJQOUDQSA-N |
| SMILES | CCN1C[C@@]2([C@@H](C[C@@H]([C@@]34[C@@H]2[C@H]([C@@H](C31)[C@]5(C[C@@H]([C@]6(C[C@@H]4[C@@H]5[C@H]6OC(=O)C7=CC=C(C=C7)OC)O)OC)OC(=O)C)OC)OC)O)COC |
Computed by PubChem (NCBI)