Robustaol A

Base Information

• Chemical Name: Robustaol A
• CAS No.: 78411-76-4
• Molecular Formula: C25H30O9
• Molecular Weight: 474.5003
• DSSTox Substance ID: DTXSID80331869
• Nikkaji Number: J2.771.411K
• Wikidata: Q27108169
• Metabolomics Workbench ID: 69362

Synonyms:Robustaol A;78411-76-4;3-[[2,6-dihydroxy-4-methoxy-3-methyl-5-(2-methylpropanoyl)phenyl]methyl]-2,4,6-trihydroxy-5-(3-methylbutanoyl)benzaldehyde;C09968;AC1L9D1K;CHEBI:8882;DTXSID80331869;Q27108169

Chemical Property of Robustaol A

Chemical Property:

• Vapor Pressure: 5.4E-19mmHg at 25°C
• Boiling Point: 677.8°C at 760 mmHg
• Flash Point: 226.1°C
• Density: 1.32g/cm³
• XLogP3: 5.2
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 9
• Exact Mass: 474.18898253
• Heavy Atom Count: 34
• Complexity: 723

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

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

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