4-Farnesyl-3,5-dihydroxy-6-methylphthalide

Base Information

• Chemical Name: 4-Farnesyl-3,5-dihydroxy-6-methylphthalide
• CAS No.: 33431-40-2
• Molecular Formula: C₂₄H₃₂O₄
• Molecular Weight: 384.516
• ChEMBL ID: CHEMBL4535113
• DSSTox Substance ID: DTXSID201116149

Synonyms:4-farnesyl-3,5-dihydroxy-6-methylphthalide;CHEMBL4535113;CHEBI:167386;DTXSID201116149;33431-40-2;1(3H)-Isobenzofuranone, 5,7-dihydroxy-4-methyl-6-(3,7,11-trimethyl-2,6,10-dodecatrienyl)-, (E,E)-

Chemical Property of 4-Farnesyl-3,5-dihydroxy-6-methylphthalide

Chemical Property:

• XLogP3: 7.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 384.23005950
• Heavy Atom Count: 28
• Complexity: 627

Purity/Quality:

95%+ or 98%+ ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C2COC(=O)C2=C(C(=C1O)CC=C(C)CCC=C(C)CCC=C(C)C)O
• Isomeric SMILES: CC1=C2COC(=O)C2=C(C(=C1O)C/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)O

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