Pimentol

Base Information

• Chemical Name: Pimentol
• CAS No.: 141913-95-3
• Molecular Formula: C23H26 O12
• UNII: 3U53LNA6A3
• DSSTox Substance ID: DTXSID50161857
• Nikkaji Number: J820.437C
• Wikidata: Q27258035
• Metabolomics Workbench ID: 139267
• ChEMBL ID: CHEMBL498040
• Mol file: 141913-95-3.mol

Synonyms:ericifolin

Chemical Property of Pimentol

Chemical Property:

• XLogP3: 1.1
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 9
• Exact Mass: 494.14242626
• Heavy Atom Count: 35
• Complexity: 694

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C(=CC(=C1)CC=C)OC2C(C(C(C(O2)COC(=O)C3=CC(=C(C(=C3)O)O)O)O)O)O)O
• Isomeric SMILES: COC1=C(C(=CC(=C1)CC=C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C3=CC(=C(C(=C3)O)O)O)O)O)O)O

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