Products 77181-26-1

CAS 77181-26-1 appears in our catalog under these names: Acetylaconitine, >95% (HPLC), Flaconitine/ 98.01% (existing batch purity), Acetylaconitine, Flaconitine, 99.77%. Offered by: TRC, TargetMol, Biosynth, MedChemExpress. Available pack sizes: 100mg, 10mg, 5mg, 25mg, 50mg, 250mg, 10 mg, 5 mg.

Acetylaconitine, >95% (HPLC)
TRC
  • size: 100mg, 10mg
  • Variants: 2
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Flaconitine/ 98.01% (existing batch purity)
TargetMol
  • size: 5mg, 10mg, 25mg, 50mg
  • Variants: 5
from 598.57
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Acetylaconitine
Biosynth
  • size: 25mg, 50mg, 100mg, 250mg
  • Variants: 4
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Flaconitine, 99.77%
MedChemExpress
  • size: 10 mg, 5 mg, 50 mg, 10mM/1mL
  • Variants: 4
from 505.45
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Structural formula: {0} (CAS {1})

[(1S,2R,3R,4R,5R,6S,7S,8R,9R,10R,13R,14R,16S,17S,18R)-8,14-diacetyloxy-11-ethyl-5,7-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate (CAS 77181-26-1) is a chemical compound with the molecular formula C36H49NO12 and a molecular weight of 687.8 g/mol. IUPAC name: [(1S,2R,3R,4R,5R,6S,7S,8R,9R,10R,13R,14R,16S,17S,18R)-8,14-diacetyloxy-11-ethyl-5,7-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate. InChIKey: RIPYIJVYDYCPKW-NNSXUSQFSA-N.

Identity
Molecular formulaC36H49NO12
Molecular weight687.8 g/mol
IUPAC name[(1S,2R,3R,4R,5R,6S,7S,8R,9R,10R,13R,14R,16S,17S,18R)-8,14-diacetyloxy-11-ethyl-5,7-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate
InChIKeyRIPYIJVYDYCPKW-NNSXUSQFSA-N
SMILESCCN1C[C@@]2([C@@H](C[C@@H]([C@@]34[C@@H]2[C@H]([C@@H]([C@H]31)[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)OC(=O)C)COC

Computed by PubChem (NCBI)

Synonyms: Flaconitine, 3-Acetylaconitine, MONOACETYLACONITINE