Justicidin A
[CAS# 25001-57-4]

Identification

• Name: Justicidin A
• Synonyms: 9-(1,3-Benzodioxol-5-Yl)-4,6,7-Trimethoxy-3H-Benzo[F]Isobenzofuran-1-One; Justicidins; Naphtho(2,3-C)Furan-1(3H)-One, 9-(1,3-Benzodioxol-5-Yl)-4,6,7-Trimethoxy-
• Molecular Formula: C₂₂H₁₈O₇
• Molecular Weight: 394.38
• CAS Registry Number: 25001-57-4
• SMILES: C1=C(C(=CC2=C1C(=C3C(=C2OC)COC3=O)C4=CC5=C(C=C4)OCO5)OC)OC
• InChI: 1S/C22H18O7/c1-24-16-7-12-13(8-17(16)25-2)21(26-3)14-9-27-22(23)20(14)19(12)11-4-5-15-18(6-11)29-10-28-15/h4-8H,9-10H2,1-3H3
• InChIKey: ANFSXHKDCKWWDB-UHFFFAOYSA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Boiling point: 644.5±55.0°C at 760 mmHg (Cal.)
• Flash point: 282.4±31.5°C (Cal.)