Products 302-27-2

CAS 302-27-2 appears in our catalog under these names: Aconitine, Aconitine, >95% (HPLC), Aconitine, 98% , Aconitine, 98.00%, ACONITINE CRYSTALLINE. Offered by: Chemat Brand, Hubei YoungXin, TRC, Thermo Scientific (Alfa Aesar), Biosynth. Available pack sizes: on request, 10mg, 25mg, 50mg, 100mg, 200mg, 5mg, 250mg.

Aconitine
Chemat Brand, Hubei YoungXin, Biosynth
  • size: on request, 10mg, 25mg, 50mg
  • Variants: 14
from 717.40
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Aconitine, >95% (HPLC)
TRC
  • size: 10mg, 25mg, 5mg
  • Variants: 3
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Aconitine, 98%
Thermo Scientific (Alfa Aesar)
  • size: 250mg
  • Variants: 1
from 4440.77
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Aconitine, 98.00%
Chemat
  • size: 100mg
  • Variants: 1
from 671.34
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ACONITINE CRYSTALLINE
Sigma-Aldrich
  • size: 100MG, 250MG, 25MG, 5MG
  • Variants: 4
from 189.00
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Aconitine, min. 98 %, 100 mg
Roth
  • size: 100mg
  • Variants: 1
from 1363.97
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Aconitine, min. 98 %, 250 mg
Roth
  • size: 250mg
  • Variants: 1
from 2732.65
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Aconitine, min. 98 %, 500 mg
Roth
  • size: 500mg
  • Variants: 1
from 4554.42
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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