(3aR,12cS)-3a,12c-Dihydro-6,8-Dihydroxy-7H-Furo[3',2':4,5]Furo[2,3-c]Xanthene-7-One Diacetate
[CAS# 58086-34-3]

Identification

• Name: (3aR,12cS)-3a,12c-Dihydro-6,8-Dihydroxy-7H-Furo[3',2':4,5]Furo[2,3-c]Xanthene-7-One Diacetate
• Synonyms: 7H-Furo(3',2':4,5)Furo(2,3-C)Xanthen-7-One, 3A,12C-Dihydro-6,8-Dihydroxy-, Diacetate; Demethyl-Diacetyl-Sterigmatocystin
• Molecular Formula: C₂₁H₁₄O₈
• Molecular Weight: 394.34
• CAS Registry Number: 58086-34-3
• SMILES: C1=C5C(=C3C(=C1OC(=O)C)C(C2=C(C=CC=C2O3)OC(C)=O)=O)C4C=COC4O5
• InChI: 1S/C21H14O8/c1-9(22)26-12-4-3-5-13-17(12)19(24)18-15(27-10(2)23)8-14-16(20(18)28-13)11-6-7-25-21(11)29-14/h3-8,11,21H,1-2H3
• InChIKey: IGYWEDCNAGIORC-UHFFFAOYSA-N

Properties

• Density: 1.474g/cm³ (Cal.)
• Boiling point: 607.623°C at 760 mmHg (Cal.)
• Flash point: 267.773°C (Cal.)