(3aR,12cS)-6,8-Dihydroxy-3a,12c-Dihydro-7H-Furo[3',2':4,5]Furo[2,3-c]Xanthen-7-One
[CAS# 30461-65-5]

Identification

• Name: (3aR,12cS)-6,8-Dihydroxy-3a,12c-Dihydro-7H-Furo[3',2':4,5]Furo[2,3-c]Xanthen-7-One
• Synonyms: Chebi:18236; Demethylsterigmatocystin; 6-Demethylsterigmatocystin
• Molecular Formula: C₁₇H₁₀O₆
• Molecular Weight: 310.26
• CAS Registry Number: 30461-65-5
• SMILES: [C@@H]15[C@@H](OC2=C1C4=C(C(=C2)O)C(=O)C3=C(O)C=CC=C3O4)OC=C5
• InChI: 1S/C17H10O6/c18-8-2-1-3-10-13(8)15(20)14-9(19)6-11-12(16(14)22-10)7-4-5-21-17(7)23-11/h1-7,17-19H/t7-,17+/m0/s1
• InChIKey: RQQOEIJLJPCYJR-BWKAKNAASA-N

Properties

• Density: 1.64g/cm³ (Cal.)
• Boiling point: 582.169°C at 760 mmHg (Cal.)
• Flash point: 224.47°C (Cal.)