Bolegrevilol

Base Information

• Chemical Name: Bolegrevilol
• CAS No.: 123941-64-0
• Molecular Formula: C28H40 O4
• ChEMBL ID: CHEMBL485669
• DSSTox Substance ID: DTXSID001116117
• Metabolomics Workbench ID: 49154
• Nikkaji Number: J2.569.931I
• Mol file: 123941-64-0.mol

Synonyms:Bolegrevilol;CHEMBL485669;CHEBI:185657;DTXSID001116117;123941-64-0;4-Acetoxy-5-geranylgeranyl-1,3-benzenediol;[2,4-dihydroxy-6-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]phenyl] acetate;1,2,4-Benzenetriol, 6-[(2E,6E,10E)-3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraenyl]-, 1-acetate;2,4-dihydroxy-6-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-yl]phenyl acetate

Chemical Property of Bolegrevilol

Chemical Property:

• XLogP3: 8.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 13
• Exact Mass: 440.29265975
• Heavy Atom Count: 32
• Complexity: 694

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=CCCC(=CCCC(=CCCC(=CCC1=C(C(=CC(=C1)O)O)OC(=O)C)C)C)C)C
• Isomeric SMILES: CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC1=C(C(=CC(=C1)O)O)OC(=O)C)/C)/C)/C)C