(1E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hept-1-ene-3,5-dione

Base Information

• Chemical Name: (1E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hept-1-ene-3,5-dione
• CAS No.: 76474-56-1
• Molecular Formula: C21H22O6
• Molecular Weight: 370.39600
• UNII: 4YU9OA673J
• Wikidata: Q27135729
• Metabolomics Workbench ID: 65015
• ChEMBL ID: CHEMBL1254325
• Mol file: 76474-56-1.mol

Synonyms:(4Z,6E)-5-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-4,6-dien-3-one;letestuianin B

Chemical Property of (1E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hept-1-ene-3,5-dione

Chemical Property:

• Vapor Pressure: 4.77E-16mmHg at 25°C
• Melting Point: 179-180℃
• Boiling Point: 616.3oC at 760 mmHg
• PKA: 8.35±0.60(Predicted)
• Flash Point: 217.8oC
• PSA: 96.22000
• Density: 1.277g/cm3
• LogP: 3.77200
• XLogP3: 3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 9
• Exact Mass: 370.14163842
• Heavy Atom Count: 27
• Complexity: 517

Purity/Quality:

98%,99%, ^*data from raw suppliers

Dihydrocurcumin >98%,StandardReferencesGrade ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=CC(=C1)CCC(=O)CC(=O)C=CC2=CC(=C(C=C2)O)OC)O
• Isomeric SMILES: COC1=C(C=CC(=C1)CCC(=O)CC(=O)/C=C/C2=CC(=C(C=C2)O)OC)O