4-(cis)-Acetyl-3,6,8-trihydroxy-3-methyldihydronaphthalenone

Base Information

• Chemical Name: 4-(cis)-Acetyl-3,6,8-trihydroxy-3-methyldihydronaphthalenone
• CAS No.: 263368-92-9
• Molecular Formula: C13H14O5
• Molecular Weight: 249.23932
• DSSTox Substance ID: DTXSID801138226
• Nikkaji Number: J1.273.480H
• ChEMBL ID: CHEMBL482230
• Mol file: 263368-92-9.mol

Synonyms:263368-92-9;4-(cis)-acetyl-3,6,8-trihydroxy-3-methyldihydronaphthalenone;methyldihydronaphthalenone;CHEMBL482230;4-(cis)-Acetyl-3,6,8-trihydroxy-3-;DTXSID801138226;BDBM50259668;(3S,4R)-4-acetyl-3,6,8-trihydroxy-3-methyl-2,4-dihydronaphthalen-1-one;AKOS040735174;FS-9323;(3S)-1,2,3,4-Tetrahydro-3alpha,6,8-trihydroxy-3-methyl-4alpha-acetylnaphthalene-1-one;rel-(3R,4S)-4-Acetyl-3,4-dihydro-3,6,8-trihydroxy-3-methyl-1(2H)-naphthalenone

Chemical Property of 4-(cis)-Acetyl-3,6,8-trihydroxy-3-methyldihydronaphthalenone

Chemical Property:

• PSA: 94.83000
• LogP: 1.10780
• XLogP3: 1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 250.08412354
• Heavy Atom Count: 18
• Complexity: 380

Purity/Quality:

98%Min ^*data from raw suppliers

4-(cis)-Acetyl-3,6,8-trihydroxy-3-methyldihydronaphthalenone ≥98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1C2=C(C(=O)CC1(C)O)C(=CC(=C2)O)O
• Isomeric SMILES: CC(=O)[C@@H]1C2=C(C(=O)C[C@]1(C)O)C(=CC(=C2)O)O