(9aS)-8-Acetyl-1,3,7-Trihydroxy-9a-Methyl-9-Oxodibenzofuran-4-Carboxamide
[CAS# 131436-22-1]

Identification

• Name: (9aS)-8-Acetyl-1,3,7-Trihydroxy-9a-Methyl-9-Oxodibenzofuran-4-Carboxamide
• Synonyms: (9As)-8-Acetyl-1,3,7-Trihydroxy-9A-Methyl-9-Oxo-Dibenzofuran-4-Carboxamide; (9As)-8-Acetyl-1,3,7-Trihydroxy-9A-Methyl-9-Oxo-4-Dibenzofurancarboxamide; (9As)-8-Acetyl-1,3,7-Trihydroxy-9-Keto-9A-Methyl-Dibenzofuran-4-Carboxamide
• Molecular Formula: C₁₆H₁₃NO₇
• Molecular Weight: 331.28
• CAS Registry Number: 131436-22-1
• SMILES: [C@@]23(C1=C(O)C=C(O)C(=C1OC2=CC(=C(C3=O)C(=O)C)O)C(=O)N)C
• InChI: 1S/C16H13NO7/c1-5(18)10-7(20)4-9-16(2,14(10)22)12-8(21)3-6(19)11(15(17)23)13(12)24-9/h3-4,19-21H,1-2H3,(H2,17,23)/t16-/m1/s1
• InChIKey: GEWLYFZWVLXQME-MRXNPFEDSA-N

Properties

• Density: 1.705g/cm³ (Cal.)
• Boiling point: 582.53°C at 760 mmHg (Cal.)
• Flash point: 306.103°C (Cal.)
• solubility: Soluble to 10 mM in DMSO