Drummondin A

Base Information

• Chemical Name: Drummondin A
• CAS No.: 119171-76-5
• Molecular Formula: C26H30 O8
• Molecular Weight: 498.5648
• DSSTox Substance ID: DTXSID60415717
• Nikkaji Number: J2.767.792D
• Wikidata: Q105152016
• Metabolomics Workbench ID: 70614
• ChEMBL ID: CHEMBL484239
• Mol file: 119171-76-5.mol

Synonyms:Drummondin A;CHEMBL484239;119171-76-5;C09004;AC1NSUZ4;DTXSID60415717;4-[(5,7-dihydroxy-2,2-dimethyl-8-propanoyl-chromen-6-yl)methyl]-3,5-dihydroxy-6,6-dimethyl-2-propanoyl-cyclohexa-2,4-dien-1-one

Chemical Property of Drummondin A

Chemical Property:

• Vapor Pressure: 6.75E-25mmHg at 25°C
• Boiling Point: 775°C at 760 mmHg
• Flash Point: 257°C
• PSA: 141.36000
• Density: 1.286g/cm³
• LogP: 4.62940
• XLogP3: 4
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 6
• Exact Mass: 470.19406791
• Heavy Atom Count: 34
• Complexity: 983

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(=O)C1=C(C(=C(C(C1=O)(C)C)O)CC2=C(C(=C3C(=C2O)C=CC(O3)(C)C)C(=O)CC)O)O