Kobophenol A

Base Information

• Chemical Name: Kobophenol A
• CAS No.: 124027-58-3
• Molecular Formula: C56H44 O13
• Molecular Weight: 924.94
• DSSTox Substance ID: DTXSID00333128
• Nikkaji Number: J391.055E
• Wikipedia: Kobophenol_A
• Wikidata: Q55243
• ChEMBL ID: CHEMBL4176064
• Mol file: 124027-58-3.mol

Synonyms:kobophenol A

Chemical Property of Kobophenol A

Chemical Property:

• PSA: 229.99000
• LogP: 10.65400
• XLogP3: 8.8
• Hydrogen Bond Donor Count: 10
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 8
• Exact Mass: 924.27819145
• Heavy Atom Count: 69
• Complexity: 1640

Purity/Quality:

99% ^*data from raw suppliers

KobophenolA ≥98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C2C(C(C(O2)C3=CC=C(C=C3)O)C4=C5C(C(OC5=CC(=C4)O)C6=CC=C(C=C6)O)C7=C8C(C(OC8=CC(=C7)O)C9=CC=C(C=C9)O)C1=CC(=CC(=C1)O)O)C1=CC(=CC(=C1)O)O)O
• Isomeric SMILES: C1=CC(=CC=C1[C@@H]2[C@H]([C@H]([C@H](O2)C3=CC=C(C=C3)O)C4=C5[C@@H]([C@H](OC5=CC(=C4)O)C6=CC=C(C=C6)O)C7=C8[C@H]([C@@H](OC8=CC(=C7)O)C9=CC=C(C=C9)O)C1=CC(=CC(=C1)O)O)C1=CC(=CC(=C1)O)O)O