Isobutyrylmallotochromene

Base Information

• Chemical Name: Isobutyrylmallotochromene
• CAS No.: 116964-16-0
• Molecular Formula: C26H30 O8
• Molecular Weight: 470.5116
• DSSTox Substance ID: DTXSID30151610
• Nikkaji Number: J292.908B
• Wikidata: Q27106967
• Metabolomics Workbench ID: 68377
• ChEMBL ID: CHEMBL470674
• Mol file: 116964-16-0.mol

Synonyms:Isobutyrylmallotochromene;116964-16-0;CHEBI:5992;AC1L4OQO;ACMC-20d11e;C09009;CHEMBL470674;DTXSID30151610;Q27106967;1-[6-[(3-acetyl-2,4-dihydroxy-6-methoxy-5-methyl-phenyl)methyl]-5,7-dihydroxy-2,2-dimethyl-chromen-8-yl]-2-methyl-propan-1-one;1-[6-[(3-acetyl-2,4-dihydroxy-6-methoxy-5-methylphenyl)methyl]-5,7-dihydroxy-2,2-dimethyl-2 h -1-benzopyran-8-yl]-2-methyl-1-propanone;1-Propanone, 1-(6-((3-acetyl-2,4-dihydroxy-6-methoxy-5-methylphenyl)methyl)-5,7-dihydroxy-2,2-dimethyl-2H-1-benzopyran-8-yl)-2-methyl-;8-(2-Methylpropionyl)-6-(3-acetyl-2,4-dihydroxy-5-methyl-6-methoxybenzyl)-2,2-dimethyl-2H-1-benzopyran-5,7-diol

Chemical Property of Isobutyrylmallotochromene

Chemical Property:

• Vapor Pressure: 3.39E-20mmHg at 25°C
• Boiling Point: 699.1°Cat760mmHg
• Flash Point: 234.6°C
• PSA: 133.52000
• Density: 1.275g/cm³
• LogP: 4.64230
• XLogP3: 5.2
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 6
• Exact Mass: 470.19406791
• Heavy Atom Count: 34
• Complexity: 792

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=C(C(=C1OC)CC2=C(C(=C3C(=C2O)C=CC(O3)(C)C)C(=O)C(C)C)O)O)C(=O)C)O