Butyrylmallotochromene

Base Information

• Chemical Name: Butyrylmallotochromene
• CAS No.: 116979-51-2
• Molecular Formula: C26H30 O8
• Molecular Weight: 470.5116
• DSSTox Substance ID: DTXSID30151615
• Nikkaji Number: J292.907D
• Wikidata: Q27106002
• Metabolomics Workbench ID: 68378
• ChEMBL ID: CHEMBL471480
• Mol file: 116979-51-2.mol

Synonyms:Butyrylmallotochromene;116979-51-2;CHEBI:3248;1-Butanone, 1-(6-((3-acetyl-2,4-dihydroxy-6-methoxy-5-methylphenyl)methyl)-5,7-dihydroxy-2,2-dimethyl-2H-1-benzopyran-8-yl)-;ACMC-20d11f;C08997;1-[6-[(3-acetyl-2,4-dihydroxy-6-methoxy-5-methylphenyl)methyl]-5,7-dihydroxy-2,2-dimethylchromen-8-yl]butan-1-one;CHEMBL471480;DTXSID30151615;Q27106002;1-[6-[(3-acetyl-2,4-dihydroxy-6-methoxy-5-methyl-phenyl)methyl]-5,7-dihydroxy-2,2-dimethyl-chromen-8-yl]butan-1-one;8-Butyryl-6-(3-acetyl-2,4-dihydroxy-5-methyl-6-methoxybenzyl)-2,2-dimethyl-2H-1-benzopyran-5,7-diol

Chemical Property of Butyrylmallotochromene

Chemical Property:

• Vapor Pressure: 1.68E-20mmHg at 25°C
• Boiling Point: 704.4°Cat760mmHg
• Flash Point: 236.6°C
• PSA: 133.52000
• Density: 1.276g/cm³
• LogP: 4.78640
• XLogP3: 5
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 7
• Exact Mass: 470.19406791
• Heavy Atom Count: 34
• Complexity: 779

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(=O)C1=C2C(=C(C(=C1O)CC3=C(C(=C(C(=C3O)C(=O)C)O)C)OC)O)C=CC(O2)(C)C