Justicidin B
[CAS# 17951-19-8]

Identification

• Name: Justicidin B
• Synonyms: 9-(1,3-Benzodioxol-5-Yl)-6,7-Dimethoxy-3H-Benzo[F]Isobenzofuran-1-One; Aids-210377; St077116
• Molecular Formula: C₂₁H₁₆O₆
• Molecular Weight: 364.35
• CAS Registry Number: 17951-19-8
• SMILES: C2=C1C(=C3C(=CC1=CC(=C2OC)OC)COC3=O)C4=CC5=C(C=C4)OCO5
• InChI: 1S/C21H16O6/c1-23-16-7-12-5-13-9-25-21(22)20(13)19(14(12)8-17(16)24-2)11-3-4-15-18(6-11)27-10-26-15/h3-8H,9-10H2,1-2H3
• InChIKey: RTDRYYULUYRTAN-UHFFFAOYSA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Boiling point: 601.9±55.0°C at 760 mmHg (Cal.)
• Flash point: 266.0±31.5°C (Cal.)