Acetyldeoxynivalenol
[CAS# 54648-10-1]

Identification

• Name: Acetyldeoxynivalenol
• Synonyms: Acetyldeoxynivalenol; Trichothec-9-En-8-One, 12,13-Epoxy-3,7,15-Trihydroxy-, Monoacetate, (3Alpha,7Alpha)-
• Molecular Formula: C₁₇H₂₂O₇
• Molecular Weight: 338.36
• CAS Registry Number: 54648-10-1
• SMILES: [C@]12([C@@]3(C4([C@H](O[C@@H]1C=C(C)C([C@H]2O)=O)[C@H](OC(=O)C)C3)OC4)C)CO
• InChI: 1S/C17H22O7/c1-8-4-11-16(6-18,13(21)12(8)20)15(3)5-10(23-9(2)19)14(24-11)17(15)7-22-17/h4,10-11,13-14,18,21H,5-7H2,1-3H3/t10-,11-,13-,14-,15-,16-,17?/m1/s1
• InChIKey: ADFIQZBYNGPCGY-KLOHDQKESA-N

Properties

• Density: 1.425g/cm³ (Cal.)
• Boiling point: 518.785°C at 760 mmHg (Cal.)
• Flash point: 189.28°C (Cal.)