3-(4-Hydroxyphenyl)-1-[2,4,6-Trihydroxy-3-(3-Methyl-2-Buten-1-Yl)Phenyl]-(2E)-2-Propen-1-One
[CAS# 115063-39-3]

Identification

• Name: 3-(4-Hydroxyphenyl)-1-[2,4,6-Trihydroxy-3-(3-Methyl-2-Buten-1-Yl)Phenyl]-(2E)-2-Propen-1-One
• Synonyms: Acon1_001231; Megxp0_001775; C16416
• Molecular Formula: C₂₀H₂₀O₅
• Molecular Weight: 340.38
• CAS Registry Number: 115063-39-3
• SMILES: C1=C(O)C(=C(C(=C1O)C(/C=C/C2=CC=C(C=C2)O)=O)O)CC=C(C)C
• InChI: 1S/C20H20O5/c1-12(2)3-9-15-17(23)11-18(24)19(20(15)25)16(22)10-6-13-4-7-14(21)8-5-13/h3-8,10-11,21,23-25H,9H2,1-2H3/b10-6+
• InChIKey: FUSADYLVRMROPL-UXBLZVDNSA-N

Properties

• Density: 1.313g/cm³ (Cal.)
• Boiling point: 570.699°C at 760 mmHg (Cal.)
• Flash point: 312.995°C (Cal.)