Lansiumarin C

Base Information

• Chemical Name: Lansiumarin C
• CAS No.: 205115-75-9
• Molecular Formula: C21H22O5
• Molecular Weight: 354.39600
• Nikkaji Number: J934.301F
• Metabolomics Workbench ID: 46704
• Mol file: 205115-75-9.mol

Synonyms:Lansiumarin C;205115-75-9;9-[(2E)-6-hydroxy-3,7-dimethylocta-2,7-dienoxy]furo[3,2-g]chromen-7-one;(E)-9-((6-Hydroxy-3,7-dimethylocta-2,7-dien-1-yl)oxy)-7H-furo[3,2-g]chromen-7-one;934464-30-9;(+)-Lansiumarin C;8-[(E)-6-Hydroxy-3,7-dimethylocta-2,7-dienyloxy]psoralen;CHEBI:171800;FS-9537;9-[(2E)-6-hydroxy-3,7-dimethylocta-2,7-dienoxy]uro[3,2-g]chromen-7-one;9-{[(2E)-6-hydroxy-3,7-dimethylocta-2,7-dien-1-yl]oxy}-2H-furo[3,2-g]chromen-2-one

Chemical Property of Lansiumarin C

Chemical Property:

• Boiling Point: 544.4±50.0 °C(Predicted)
• PKA: 14.43±0.20(Predicted)
• PSA: 72.81000
• Density: 1.210±0.06 g/cm3(Predicted)
• LogP: 4.58150
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 354.14672380
• Heavy Atom Count: 26
• Complexity: 593

Purity/Quality:

98%min ^*data from raw suppliers

LansiumarinC ≥98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=C)C(CCC(=CCOC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2)C)O
• Isomeric SMILES: CC(=C)C(CC/C(=C/COC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2)/C)O