4-[(Z,11R,12R)-11,12-dihydroxytriacont-15-enyl]-2-methyl-2H-furan-5-one

Base Information

• Chemical Name: 4-[(Z,11R,12R)-11,12-dihydroxytriacont-15-enyl]-2-methyl-2H-furan-5-one
• CAS No.: 189508-32-5
• Molecular Formula: C35H64 O4
• Molecular Weight: 548.88
• Wikidata: Q105281823
• Mol file: 189508-32-5.mol

Synonyms:cohibin D

Chemical Property of 4-[(Z,11R,12R)-11,12-dihydroxytriacont-15-enyl]-2-methyl-2H-furan-5-one

Chemical Property:

• Vapor Pressure: 4.41E-21mmHg at 25°C
• Boiling Point: 674.4°Cat760mmHg
• Flash Point: 198.6°C
• PSA: 66.76000
• Density: 0.951g/cm³
• LogP: 9.90850
• XLogP3: 12.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 28
• Exact Mass: 548.48046052
• Heavy Atom Count: 39
• Complexity: 626

Purity/Quality:

98.5% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCC=CCCC(C(CCCCCCCCCCC1=CC(OC1=O)C)O)O
• Isomeric SMILES: CCCCCCCCCCCCCC/C=C\CC[C@H]([C@@H](CCCCCCCCCCC1=CC(OC1=O)C)O)O