2,3-Dihydro-2,3-Dihydroxyaflatoxin B1
[CAS# 50668-79-6]

Identification

• Name: 2,3-Dihydro-2,3-Dihydroxyaflatoxin B1
• Synonyms: 2,3-Dihydroxy-2,3-Dihydroaflatoxin B1; Aflatoxin B1-2,3-Dihydrodiol; Aflatoxin B1-2,3-Diol
• Molecular Formula: C₁₇H₁₄O₈
• Molecular Weight: 346.29
• CAS Registry Number: 50668-79-6
• SMILES: [C@@H]15[C@@H](OC2=CC(=C3C(=C12)OC(=O)C4=C3CCC4=O)OC)O[C@@H](O)[C@@H]5O
• InChI: 1S/C17H14O8/c1-22-7-4-8-11(12-13(19)16(21)25-17(12)23-8)14-10(7)5-2-3-6(18)9(5)15(20)24-14/h4,12-13,16-17,19,21H,2-3H2,1H3/t12-,13-,16-,17+/m1/s1
• InChIKey: JRZBEIPOZPNWID-KFZJALRRSA-N

Properties

• Density: 1.713g/cm³ (Cal.)
• Boiling point: 606.832°C at 760 mmHg (Cal.)
• Flash point: 229.019°C (Cal.)