(6AR,10AR)-3-(1,1-Dimethylbutyl)-6A,7,10,10A-tetrahydro-6,6,9-trimethyl-6H-dibenzo[B,D]pyran

Base Information

• Chemical Name: (6AR,10AR)-3-(1,1-Dimethylbutyl)-6A,7,10,10A-tetrahydro-6,6,9-trimethyl-6H-dibenzo[B,D]pyran
• CAS No.: 259869-55-1
• Molecular Formula: C22H32O
• Molecular Weight: 312.48900
• UNII: TDG8048RDA
• DSSTox Substance ID: DTXSID30426077
• Nikkaji Number: J1.339.716C
• Wikipedia: JWH-133
• Wikidata: Q6109195
• Pharos Ligand ID: RAU4WHN7QKR5
• ChEMBL ID: CHEMBL371214
• Mol file: 259869-55-1.mol

Synonyms:1,1-dimethylbutyl-1-deoxy-Delta(9)-THC;JWH-133;JWH133

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Chemical Property of (6AR,10AR)-3-(1,1-Dimethylbutyl)-6A,7,10,10A-tetrahydro-6,6,9-trimethyl-6H-dibenzo[B,D]pyran

Chemical Property:

• Vapor Pressure: 1.07E-05mmHg at 25°C
• Boiling Point: 382°C at 760 mmHg
• Flash Point: 182.8°C
• PSA: 9.23000
• Density: 0.95g/cm³
• LogP: 6.37520
• Storage Temp.: −20°C
• Solubility.: Chloroform, Ethyl Acetate
• XLogP3: 6.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 312.245315640
• Heavy Atom Count: 23
• Complexity: 459

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(C)(C)C1=CC2=C(C=C1)C3CC(=CCC3C(O2)(C)C)C
• Isomeric SMILES: CCCC(C)(C)C1=CC2=C(C=C1)[C@@H]3CC(=CC[C@H]3C(O2)(C)C)C
• Uses: JW 133 is an intermediate used to synthesize potent CB2-Selective Cannabinoid Receptor Ligands such as 4-oxo-1,4-dihydroquinoline-3-carboxamides and 3-(1'',1''-Dimethylbutyl)-1-deoxy-Δ8-THC analogs.