Products 63238-67-5
CAS 63238-67-5 appears in our catalog under these names: Benzoylmesaconitine, Benzoylmesaconine/ 97.29% (existing batch purity), Benzoylmesaconine, (3R,4R,6S,7R,7aR,8R,9R,10S,11S,11aR,13R,14S)-4,9,11,11a-Tetrahydroxy-6,10,13-trimethoxy-3-(methoxymethyl)-1-methyltetradecahydro-2H-3,6a,12-(epiethane[1,1,2]triyl)-7,9-methanonaphtho[2,3-b]azocin-8-yl benzoate, 98+%, 98+%, Benzoylmesaconine, 99.56%. Offered by: GLPBio, TargetMol, Biosynth, Chemat, MedChemExpress. Available pack sizes: 20mg, 1mg, 5mg, 10mg, 25mg, 50mg, 100mg, 250mg.
Benzoylmesaconine is a diterpene alkaloid with formula C31H43NO10 that is isolated from several Aconitum species. It has a role as an antiinfective agent, an analgesic and a plant metabolite. It is a diterpene alkaloid, a tertiary alcohol, a tetrol, a secondary alcohol, a bridged compound, a benzoate ester, an organic heteropolycyclic compound, a polyether and a tertiary amino compound. It derives from a hydride of an aconitane.
Source: ChEBI
| Molecular formula | C31H43NO10 |
|---|---|
| Molecular weight | 589.7 g/mol |
| IUPAC name | [(1S,2R,3R,4R,5R,6S,7S,8R,9R,13R,14R,16S,17S,18R)-5,7,8,14-tetrahydroxy-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 |
| InChIKey | PULWZCUZNRVAHT-IJNXHYLPSA-N |
| SMILES | CN1C[C@@]2([C@@H](C[C@@H]([C@@]34[C@@H]2[C@H]([C@@H](C31)[C@@]5([C@@H]6[C@H]4C[C@@]([C@@H]6OC(=O)C7=CC=CC=C7)([C@H]([C@@H]5O)OC)O)O)OC)OC)O)COC |
Computed by PubChem (NCBI)