(6aS-(6aalpha,8beta,9aalpha))-2,3,6a,8,9a-Hexahydro-8-hydroxy-4-methoxycyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)benzopyran-1,11-dione
[CAS# 17878-54-5]

Identification

• Name: (6aS-(6aalpha,8beta,9aalpha))-2,3,6a,8,9a-Hexahydro-8-hydroxy-4-methoxycyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)benzopyran-1,11-dione
• Synonyms: 2,3,6Aalpha,8,9,9Aalpha-Hexahydro-8-Hydroxy-4-Methoxycyclopenta(C)Furo(3',2':4,5)Furo(2,3-H)(1)Benzopyran-1,11-Dione; Aflatoxin B1, Dihydrohydroxy-; Aflatoxin B1, Hemiacetal
• Molecular Formula: C₁₇H₁₄O₇
• Molecular Weight: 330.29
• CAS Registry Number: 17878-54-5
• EINECS: 241-832-6
• SMILES: [C@H]23C1=C4C(=C(OC)C=C1O[C@H]2O[C@H](C3)O)C5=C(C(O4)=O)C(CC5)=O
• InChI: 1S/C17H14O7/c1-21-9-5-10-14(7-4-11(19)23-17(7)22-10)15-13(9)6-2-3-8(18)12(6)16(20)24-15/h5,7,11,17,19H,2-4H2,1H3/t7-,11+,17-/m0/s1
• InChIKey: PFQSKXVNBUHPIW-AUWAXLAASA-N

Properties

• Density: 1.617g/cm³ (Cal.)
• Boiling point: 575.168°C at 760 mmHg (Cal.)
• Flash point: 217.975°C (Cal.)