Acetylshikonin
[CAS# 54984-93-9]

Identification

• Name: Acetylshikonin
• Synonyms: [1-(5,8-Dihydroxy-1,4-Dioxo-2-Naphthyl)-4-Methyl-Pent-3-Enyl] Acetate; Acetic Acid [1-(5,8-Dihydroxy-1,4-Dioxo-2-Naphthyl)-4-Methylpent-3-Enyl] Ester; Acetic Acid [1-(5,8-Dihydroxy-1,4-Diketo-2-Naphthyl)-4-Methyl-Pent-3-Enyl] Ester
• Molecular Formula: C₁₈H₁₈O₆
• Molecular Weight: 330.34
• CAS Registry Number: 54984-93-9
• SMILES: C2=C(C1=C(C(C=C(C1=O)C(CC=C(C)C)OC(C)=O)=O)C(=C2)O)O
• InChI: 1S/C18H18O6/c1-9(2)4-7-15(24-10(3)19)11-8-14(22)16-12(20)5-6-13(21)17(16)18(11)23/h4-6,8,15,20-21H,7H2,1-3H3
• InChIKey: WNFXUXZJJKTDOZ-UHFFFAOYSA-N

Properties

• Density: 1.327g/cm³ (Cal.)
• Boiling point: 553.23°C at 760 mmHg (Cal.)
• Flash point: 201.348°C (Cal.)