(8aS-(8aalpha,9abeta,10abeta,10balpha))-8a,9a,10a,10b-Tetrahydro-4-Hydroxy-6-Methoxy-5H-Oxireno(4',5')Furo(3',2':4,5)Furo(2,3-c)Xanthen-5-One
[CAS# 76014-27-2]

Identification

• Name: (8aS-(8aalpha,9abeta,10abeta,10balpha))-8a,9a,10a,10b-Tetrahydro-4-Hydroxy-6-Methoxy-5H-Oxireno(4',5')Furo(3',2':4,5)Furo(2,3-c)Xanthen-5-One
• Synonyms: Sterigmatocystin 1,2-Oxide; Sterigmatocystin-1,2-Epoxide
• Molecular Formula: C₁₈H₁₂O₇
• Molecular Weight: 340.29
• CAS Registry Number: 76014-27-2
• SMILES: C1=C6C(=C(C=C1)O)C(C5=C(C2=C(OC3C2C4C(O3)O4)C=C5OC)O6)=O
• InChI: 1S/C18H12O7/c1-21-8-5-9-11(13-16-18(24-16)25-17(13)23-9)15-12(8)14(20)10-6(19)3-2-4-7(10)22-15/h2-5,13,16-19H,1H3
• InChIKey: LXLRMUXCNYJUJC-UHFFFAOYSA-N

Properties

• Density: 1.611g/cm³ (Cal.)
• Boiling point: 591.78°C at 760 mmHg (Cal.)
• Flash point: 224.838°C (Cal.)