Gnetin A

Base Information

• Chemical Name: Gnetin A
• CAS No.: 82084-87-5
• Molecular Formula: C28H22O6
• Molecular Weight: 454.4707
• DSSTox Substance ID: DTXSID70415182
• Metabolomics Workbench ID: 70391
• Nikkaji Number: J2.772.127C
• Wikidata: Q27106780
• Mol file: 82084-87-5.mol

Synonyms:Gnetin A;82084-87-5;C10260;(1S,5R,6R,7R)-6-(3,5-dihydroxyphenyl)-7-(4-hydroxyphenyl)-4-[(E)-2-(4-hydroxyphenyl)ethenyl]bicyclo[3.2.1]oct-3-ene-2,8-dione;AC1NQYY7;CHEBI:5511;DTXSID70415182;Q27106780

Chemical Property of Gnetin A

Chemical Property:

• Vapor Pressure: 1.11E-21mmHg at 25°C
• Boiling Point: 724.3°Cat760mmHg
• Flash Point: 405.8°C
• Density: 1.478g/cm³
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 454.14163842
• Heavy Atom Count: 34
• Complexity: 822

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C=CC2=CC(=O)C3C(C(C2C3=O)C4=CC(=CC(=C4)O)O)C5=CC=C(C=C5)O)O
• Isomeric SMILES: C1=CC(=CC=C1/C=C/C2=CC(=O)[C@@H]3[C@@H]([C@H]([C@H]2C3=O)C4=CC(=CC(=C4)O)O)C5=CC=C(C=C5)O)O