3-Acetyldeoxynivalenol
[(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
Also Known As: 3-Acetyldeoxynivalenol|acetylDON|3-Acetyl don|3-acetyl-DON|3-Acetyl-deoxynivalenol|deoxynivalenol 3-acetate|DON-3-acetate|Deoxynivalenol monoacetate|3|A-Acetylvomitoxin|4-Amino-1-butanol|3-ADON|Dehydronivalenol monoacetate|3-Acetyl Deoxynivalenol|3-AcDON|DON 3-ACETATE|3-monoacetyldeoxynivalenol|Acetyldeoxynivalenol, 3-|3-Ac-DON|3-Acetyl-4-deoxynivalenol|Epitope ID:985697|VOMITOXIN 3-ACETATE|15-ADON|3-Acetyldeoxynivalenol solution|3-Acetyldeoxynivalenol Standard|MSK7215|HY-N6685|MSK7215-100A|3-Acetyldeoxynivalenol, reference material
| Molecular Formula | C17H22O7 |
|---|---|
| Molecular Weight | 338.13657 g/mol |
| LogP | -0.2669 |
| Topological Polar Surface Area | 105.59 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 338.13657 |
| Monoisotopic Mass | 338.13657 |
| Heavy Atoms | 24 |
| Complexity | 651.3245 |
Chemical Identifiers
| CAS Number | 50722-39-9 |
|---|---|
| SMILES | CC1=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 |
Product Overview
3-Acetyldeoxynivalenol (CAS 50722-39-9), with molecular formula C17H22O7 and molecular weight 338.13657 g/mol. IUPAC: [(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.