Cynarin
[CAS# 1884-23-7]

Identification

• Classification: Biochemical >> Natural biochemical product
• Name: Cynarin
• Synonyms: 1,4-Bis[[(E)-3-(3,4-Dihydroxyphenyl)Prop-2-Enoyl]Oxy]-3,5-Dihydroxycyclohexane-1-Carboxylic Acid; 1,4-Bis[3-(3,4-Dihydroxyphenyl)Prop-2-Enoyloxy]-3,5-Dihydroxy-Cyclohexane-1-Carboxylic Acid; 1,4-Bis[[(E)-3-(3,4-Dihydroxyphenyl)Prop-2-Enoyl]Oxy]-3,5-Dihydroxy-Cyclohexane-1-Carboxylic Acid
• Molecular Formula: C₂₅H₂₄O₁₂
• Molecular Weight: 516.46
• CAS Registry Number: 1884-23-7
• SMILES: C1=C(O)C(=CC=C1/C=C/C(OC3(CC(O)C(OC(=O)\C=C\C2=CC=C(O)C(=C2)O)C(O)C3)C(=O)O)=O)O
• InChI: 1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(32)36-23-19(30)11-25(24(34)35,12-20(23)31)37-22(33)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-31H,11-12H2,(H,34,35)/b7-3+,8-4+
• InChIKey: IYXQRCXQQWUFQV-FCXRPNKRSA-N

Properties

• Density: 1.645g/cm³ (Cal.)
• Boiling point: 843.355°C at 760 mmHg (Cal.)
• Flash point: 286.349°C (Cal.)