Contortin
[CAS# 91925-83-6]

Identification

• Name: Contortin
• Synonyms: 1-[3-(3-Acetyl-2-Hydroxy-4,6-Dimethoxy-5-Methyl-Phenyl)-2-Hydroxy-4,6-Dimethoxy-5-Methyl-Phenyl]Ethanone; 1-[3-(3-Ethanoyl-2-Hydroxy-4,6-Dimethoxy-5-Methyl-Phenyl)-2-Hydroxy-4,6-Dimethoxy-5-Methyl-Phenyl]Ethanone; Contortin
• Molecular Formula: C₂₂H₂₆O₈
• Molecular Weight: 418.44
• CAS Registry Number: 91925-83-6
• SMILES: CC1=C(OC)C(=C(C(=C1OC)C2=C(C(=C(C(=C2OC)C)OC)C(=O)C)O)O)C(=O)C
• InChI: 1S/C22H26O8/c1-9-19(27-5)13(11(3)23)17(25)15(21(9)29-7)16-18(26)14(12(4)24)20(28-6)10(2)22(16)30-8/h25-26H,1-8H3
• InChIKey: PDJMCBVRNSWEOY-UHFFFAOYSA-N

Properties

• Density: 1.219g/cm³ (Cal.)
• Boiling point: 552.416°C at 760 mmHg (Cal.)
• Flash point: 186.028°C (Cal.)