Chaetochromin A

Base Information

• Chemical Name: Chaetochromin A
• CAS No.: 75514-37-3
• Molecular Formula: C30H26 O10
• Molecular Weight: 546.52
• UNII: YME4GS90I1
• Wikidata: Q105236549
• Metabolomics Workbench ID: 122279
• ChEMBL ID: CHEMBL1099258
• Mol file: 75514-37-3.mol

Synonyms:chaetochromin;chaetochromin A;chaetochromin B;chaetochromin D;chaetochromin, stereoisomer

Chemical Property of Chaetochromin A

Chemical Property:

• Boiling Point: 718.5±60.0 °C(Predicted)
• PKA: 3.47±0.60(Predicted)
• Flash Point: 237.5oC
• PSA: 173.98000
• Density: 1.508±0.06 g/cm3(Predicted)
• LogP: 5.09300
• XLogP3: 5.9
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 1
• Exact Mass: 546.15259702
• Heavy Atom Count: 40
• Complexity: 927

Purity/Quality:

99% ^*data from raw suppliers

CHAETOCHROMIN 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(OC2=C(C1=O)C(=C3C(=C2)C(=C(C=C3O)O)C4=C(C=C(C5=C(C6=C(C=C54)OC(C(C6=O)C)C)O)O)O)O)C
• Isomeric SMILES: C[C@@H]1[C@H](OC2=C(C1=O)C(=C3C(=C2)C(=C(C=C3O)O)C4=C(C=C(C5=C(C6=C(C=C54)O[C@@H]([C@H](C6=O)C)C)O)O)O)O)C

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