2,3-Epoxyaflatoxin B1
[CAS# 42583-46-0]

Identification

• Name: 2,3-Epoxyaflatoxin B1
• Synonyms: Aflatoxin B1 Epoxide; Brn 5154814; Ccris 5355
• Molecular Formula: C₁₇H₁₂O₇
• Molecular Weight: 328.28
• CAS Registry Number: 42583-46-0
• SMILES: [C@H]13[C@H](O[C@@H]2O[C@H]12)OC4=C3C5=C(C(=C4)OC)C6=C(C(O5)=O)C(=O)CC6
• InChI: 1S/C17H12O7/c1-20-7-4-8-11(12-14-17(23-14)24-16(12)21-8)13-10(7)5-2-3-6(18)9(5)15(19)22-13/h4,12,14,16-17H,2-3H2,1H3/t12-,14-,16+,17+/m1/s1
• InChIKey: KHBXRZGALJGBPA-IRWJRLHMSA-N

Properties

• Density: 1.685g/cm³ (Cal.)
• Boiling point: 549.897°C at 760 mmHg (Cal.)
• Flash point: 247.5°C (Cal.)