Agrimol C

Base Information

• Chemical Name: Agrimol C
• CAS No.: 55785-59-6
• Molecular Formula: C36H44 O12
• Molecular Weight: 668.73
• DSSTox Substance ID: DTXSID50331997
• Nikkaji Number: J2.446.106H
• Wikidata: Q27105697
• Metabolomics Workbench ID: 69503
• Mol file: 55785-59-6.mol

Synonyms:Agrimol C;55785-59-6;1-[3,5-bis[(3-butanoyl-2,6-dihydroxy-4-methoxy-5-methylphenyl)methyl]-2,4,6-trihydroxyphenyl]butan-1-one;C10669;AC1L9DLW;CTK5A4177;CHEBI:2516;DTXSID50331997;AG-F-95444;Q27105697;1-[3,5-BIS[(3-BUTANOYL-2,6-DIHYDROXY-4-METHOXY-5-METHYL-PHENYL)METHYL]-2,4,6-TRIHYDROXY-PHENYL]BUTAN-1-ONE

Chemical Property of Agrimol C

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 923°Cat760mmHg
• Flash Point: 286.8°C
• PSA: 211.28000
• Density: 1.307g/cm³
• LogP: 6.38980
• XLogP3: 7.1
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 15
• Exact Mass: 668.28327683
• Heavy Atom Count: 48
• Complexity: 998

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(=O)C1=C(C(=C(C(=C1O)CC2=C(C(=C(C(=C2O)C)OC)C(=O)CCC)O)O)CC3=C(C(=C(C(=C3O)C)OC)C(=O)CCC)O)O