(3S,6S,6aS,7R,7aR,8R,9R,10S,11S,11aR,12R,12aR,13R,14R)-9,11,11a-Trihydroxy-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, 99.27% ,, 99.27% ,

cas: 63238-66-4 — see every product listed under this CAS number, including other names

(3S,6S,6aS,7R,7aR,8R,9R,10S,11S,11aR,12R,12aR,13R,14R)-9,11,11a-Trihydroxy-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, 99.27% ,, 99.27% , (CAS 63238-66-4) is a chemical reagent available from Chemat. Available pack sizes: 10mg, 1mg, 5mg, 25mg, 50mg. Offered by: Chemat.

• 2D
• 3D

Benzoylhypaconine is a diterpene alkaloid with formula C31H43NO9 that is isolated from several Aconitum species. It has a role as a xenobiotic, a phytotoxin, a plant metabolite, a human urinary metabolite and a rat metabolite. It is a diterpene alkaloid, a tertiary alcohol, a triol, 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

Identity

Molecular formula	C31H43NO9
Molecular weight	573.7 g/mol
IUPAC name	[(1S,2R,3R,4R,5R,6S,7S,8R,9R,13S,16S,17R,18R)-5,7,8-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
InChIKey	MDFCJNFOINXVSU-SQZQQIIISA-N
SMILES	CN1C[C@@]2(CC[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)COC

Computed by PubChem (NCBI)

Synonyms: Benzoylhypaconine, 14-O-Benzoylhypaconine, Hypaconine 14-benzoate, 3-Deoxymesaconine 14-benzoate, Benzoylhypacoitine, Benzoylhypaconitine, benozylhypaconitine, 14-benzoylhypaconine, 14-benzoylhypaconitine