Aconitine, >95% (HPLC)

cas: 302-27-2 — see every product listed under this CAS number, including other names

Aconitine, >95% (HPLC) (CAS 302-27-2) is a chemical reagent available from Chemat. Available pack sizes: 10mg, 25mg, 5mg. Offered by: TRC.

brandTRC
catalog numberTRC-A189875-10MG
cas302-27-2
size10mg
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Available pack sizes

brand size price
TRC 10mg price on request
TRC 25mg price on request
TRC 5mg price on request

properties

purity>95% (HPLC)
delivery timeTo be confirmed by Chemat
Structural formula: {0} (CAS {1})

Aconitine is a diterpenoid that is 20-ethyl-3alpha,13,15alpha-trihydroxy-1alpha,6alpha,16beta-trimethoxy-4-(methoxymethyl)aconitane-8,14alpha-diol having acetate and benzoate groups at the 8- and 14-positions respectively. It is functionally related to an aconitane.

Source: ChEBI

Identity
Molecular formulaC34H47NO11
Molecular weight645.7 g/mol
IUPAC name[(1S,2R,3R,4R,5R,6S,7S,8R,9R,13R,14R,16S,17S,18R)-8-acetyloxy-11-ethyl-5,7,14-trihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate
InChIKeyXFSBVAOIAHNAPC-XTHSEXKGSA-N
SMILESCCN1C[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)OC(=O)C)OC)OC)O)COC

Computed by PubChem (NCBI)

Synonyms: aconitine, Acetylbenzoylaconine, Aconitinum, Acetylbenzoyl aconine, Aconitin cristallisat, Acetylbenzoyl-aconine, b]azocin-8-yl benzoate, XFSBVAOIAHNAPC-XTHSEXKGSA-N

Also listed as

Aconitine Chemat Brand CAS 302-27-2
Aconitine, 98% Thermo Scientific (Alfa Aesar) CAS 302-27-2
Aconitine, 98.00% Chemat CAS 302-27-2
ACONITINE CRYSTALLINE Sigma-Aldrich CAS 302-27-2
Aconitine, min. 98 %, 100 mg Roth CAS 302-27-2
Aconitine, min. 98 %, 250 mg Roth CAS 302-27-2
Aconitine, min. 98 %, 500 mg Roth CAS 302-27-2