Corticatic acid A

Base Information

• Chemical Name: Corticatic acid A
• CAS No.: 160219-89-6
• Molecular Formula: C31H44 O3
• Molecular Weight: 464.68
• Metabolomics Workbench ID: 137345
• ChEMBL ID: CHEMBL470465
• Mol file: 160219-89-6.mol

Synonyms:corticatic acid A;corticatic acid B

Chemical Property of Corticatic acid A

Chemical Property:

• Vapor Pressure: 1.26E-17mmHg at 25°C
• Boiling Point: 613.7°Cat760mmHg
• Flash Point: 339°C
• PSA: 57.53000
• Density: 1.001g/cm³
• LogP: 7.37220
• XLogP3: 10.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 19
• Exact Mass: 464.32904526
• Heavy Atom Count: 34
• Complexity: 779

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C#CC(C=CCCCCCC#CCC=CCCCCCCCCCCCC=CC#CC(=O)O)O
• Isomeric SMILES: C#CC(/C=C/CCCCCC#CC/C=C\CCCCCCCCCCC/C=C\C#CC(=O)O)O