7,2',4'-Trihydroxy-8-lavandulyl-5-methoxyflavanone

Base Information

• Chemical Name: 7,2',4'-Trihydroxy-8-lavandulyl-5-methoxyflavanone
• CAS No.: 34981-26-5
• Molecular Formula: C26H30 O6
• Molecular Weight: 438.51
• DSSTox Substance ID: DTXSID60956438
• Nikkaji Number: J3.604.214A
• Wikidata: Q27134672
• Metabolomics Workbench ID: 27655
• Mol file: 34981-26-5.mol

Synonyms:kurarinone;norkurarinone

Chemical Property of 7,2',4'-Trihydroxy-8-lavandulyl-5-methoxyflavanone

Chemical Property:

• Vapor Pressure: 5.5E-18mmHg at 25°C
• Melting Point: 117-119℃
• Boiling Point: 659.3°Cat760mmHg
• PKA: 7.49±0.40(Predicted)
• Flash Point: 224.8°C
• PSA: 96.22000
• Density: 1.266g/cm³
• LogP: 5.60960
• XLogP3: 5.6
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 438.20423867
• Heavy Atom Count: 32
• Complexity: 698

Purity/Quality:

99% ^*data from raw suppliers

Kurarinone(NewProduct) 98%(HPLC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=CCC(CC1=C2C(=C(C=C1O)OC)C(=O)CC(O2)C3=C(C=C(C=C3)O)O)C(=C)C)C
• Isomeric SMILES: CC(=CC[C@H](CC1=C2C(=C(C=C1O)OC)C(=O)C[C@H](O2)C3=C(C=C(C=C3)O)O)C(=C)C)C