Guibourtinidol-(4alpha->6)-catechin

Base Information

• Chemical Name: Guibourtinidol-(4alpha->6)-catechin
• CAS No.: 26277-74-7
• Molecular Formula: C30H26 O10
• Molecular Weight: 546.5214
• DSSTox Substance ID: DTXSID40331906
• Wikidata: Q27106809
• Metabolomics Workbench ID: 69410
• Mol file: 26277-74-7.mol

Synonyms:Guibourtinidol-(4alpha->6)-catechin;26277-74-7;C10231;(2R,3S)-6-[(2R,3S,4R)-3,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol;AC1L9D82;CHEBI:5570;DTXSID40331906;Q27106809

Chemical Property of Guibourtinidol-(4alpha->6)-catechin

Chemical Property:

• Boiling Point: 932.7°Cat760mmHg
• Flash Point: 517.9°C
• Density: 1.596g/cm³
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 3
• Exact Mass: 546.15259702
• Heavy Atom Count: 40
• Complexity: 852

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1C(C(OC2=C1C(=C(C(=C2)O)C3C(C(OC4=C3C=CC(=C4)O)C5=CC=C(C=C5)O)O)O)C6=CC(=C(C=C6)O)O)O
• Isomeric SMILES: C1[C@@H]([C@H](OC2=C1C(=C(C(=C2)O)[C@@H]3[C@@H]([C@H](OC4=C3C=CC(=C4)O)C5=CC=C(C=C5)O)O)O)C6=CC(=C(C=C6)O)O)O