Aflatoxin Q1
[CAS# 52819-96-2]

Identification

• Name: Aflatoxin Q1
• Synonyms: Ccris 2010; Cyclopenta(C)Furo(3',2':4,5)Furo(2,3-H)(1)Benzopyran-1,11-Dione, 2,3,6A,9A-Tetrahydro-3-Hydroxy-4-Methoxy-, (3S,6Ar,9As)-; Cyclopenta(C)Furo(3',2':4,5)Furo(2,3-H)(1)Benzopyran-1,11-Dione, 2,3,6A,9A-Tetrahydro-3-Hydroxy-4-Methoxy-, (3S-(3-Alpha,6A-Alpha,9A-Alpha))-
• Molecular Formula: C₁₇H₁₂O₇
• Molecular Weight: 328.28
• CAS Registry Number: 52819-96-2
• SMILES: [C@H]5(C1=C(C(OC2=C3C(=CC(=C12)OC)O[C@@H]4[C@H]3C=CO4)=O)C(C5)=O)O
• InChI: 1S/C17H12O7/c1-21-9-5-10-11(6-2-3-22-17(6)23-10)15-14(9)12-7(18)4-8(19)13(12)16(20)24-15/h2-3,5-7,17-18H,4H2,1H3/t6-,7-,17+/m0/s1
• InChIKey: GYNOTJLCULOEIM-XKRJZGAWSA-N

Properties

• Density: 1.662g/cm³ (Cal.)
• Boiling point: 588.963°C at 760 mmHg (Cal.)
• Flash point: 224.543°C (Cal.)