Products 50722-38-8

CAS 50722-38-8 appears in our catalog under these names: 3-Acetyldeoxynivalenol, 95%, 3-Acetyldeoxynivalenol, 3-Acetyldeoxynivalenol, >95% (HPLC), 3-Acetyl-deoxynivalenol, 3-Acetyl-deoxynivalenol 100 μg/mL in Acetonitrile. Offered by: Combi-blocks, Chemat Brand, TRC, Dr. Ehrenstorfer, GLPBio. Available pack sizes: 10mg, 1mg, 5mg, on request, 5ml, 1ml, 2mg, Get quote.

Structural formula: {0} (CAS {1})

3-acetyldeoxynivalenol is a trichothecene mycotoxin that is deoxynivalenol acetylated on the oxygen at C-3. A skin and eye irritant, along with its 15-acetyl regioisomer and its parent deoxynivalenol it is considered among the most commonly and widely distributed cereal contaminants. It has a role as a mycotoxin and an epitope. It is functionally related to a deoxynivalenol.

Source: ChEBI

Identity
Molecular formulaC17H22O7
Molecular weight338.4 g/mol
IUPAC name[(1R,2R,3S,7R,9R,10R,12S)-3-hydroxy-2-(hydroxymethyl)-1,5-dimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-10-yl] acetate
InChIKeyADFIQZBYNGPCGY-HTJQZXIKSA-N
SMILESCC1=C[C@@H]2[C@]([C@@H](C1=O)O)([C@]3(C[C@H]([C@H]([C@@]34CO4)O2)OC(=O)C)C)CO

Computed by PubChem (NCBI)