Granulatine

Base Information

• Chemical Name: Granulatine
• CAS No.: 668-14-4
• Molecular Formula: C18H14 O8
• Molecular Weight: 358.304
• NSC Number: 685587
• DSSTox Substance ID: DTXSID70415687
• Nikkaji Number: J167.416A
• Wikidata: Q82224658
• Metabolomics Workbench ID: 133007
• ChEMBL ID: CHEMBL366410
• Mol file: 668-14-4.mol

Synonyms:Granulatine;NSC-685587;CHEMBL366410;NSC685587;Virensic acid;4-Formyl-3,8-dihydroxy-1,6,9-trimethyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepine-7-carboxylic acid;668-14-4;DTXSID70415687;CHEBI:144248;BDBM50056936;10-formyl-3,9-dihydroxy-1,4,7-trimethyl-6-oxo-benzo[b][1,4]benzodioxepine-2-carboxylic acid

Chemical Property of Granulatine

Chemical Property:

• XLogP3: 3.4
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 2
• Exact Mass: 358.06886740
• Heavy Atom Count: 26
• Complexity: 592

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C2=C1C(=O)OC3=C(O2)C(=C(C(=C3C)O)C(=O)O)C)C=O)O