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8β-Hydroxy-exo-THC

CAT: 0013-GTR19241194-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19241194-03Size:100 mg
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Description
8β-Hydroxy-exo-THC is a synthetic cannabinoid analog exhibiting low receptor affinity, with an IC50 of 1.2 μM. This compound is a valuable research tool for in vitro binding assays to study cannabinoid receptor pharmacology and ligand interactions.
CAS Number
52522-55-1
Field of Research
Pharmacology & Drug Discovery
Smiles
OC1=C2[C@]3 ([C@] (C (C) (C) OC2=CC (CCCCC) =C1) (C[C@@H] (O) C (=C) C3) [H]) [H]
Molecular Formula
C21H30O3
Molecular Weight
330.46
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(6aR)-6abeta,7,8,9,10,10aalpha-Hexahydro-6,6-dimethyl-9-methylene-3-pentyl-6H-dibenzo[b,d]pyran-1,8beta-diol
CAS Number52522-55-1
PubChem CID44340683
IUPAC Name(6aR,8R,10aR)-6,6-dimethyl-9-methylidene-3-pentyl-7,8,10,10a-tetrahydro-6aH-benzo[c]chromene-1,8-diol
Molecular FormulaC21H30O3
Molecular Weight330.5
XLogP5.8
Topological Polar Surface Area49.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count24
Formal Charge0
Complexity458
SMILES
CCCCCC1=CC(=C2[C@@H]3CC(=C)[C@@H](C[C@H]3C(OC2=C1)(C)C)O)O
InChI
InChI=1S/C21H30O3/c1-5-6-7-8-14-10-18(23)20-15-9-13(2)17(22)12-16(15)21(3,4)24-19(20)11-14/h10-11,15-17,22-23H,2,5-9,12H2,1,3-4H3/t15-,16-,17-/m1/s1
InChIKey
YRXPGUPXVCGYGF-BRWVUGGUSA-N
Chemical Structure
2D Structure
2D structure of (6aR)-6abeta,7,8,9,10,10aalpha-Hexahydro-6,6-dimethyl-9-methylene-3-pentyl-6H-dibenzo[b,d]pyran-1,8beta-diol
CAS: 52522-55-1
CID: 44340683
Formula: C21H30O3
MW: 330.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight330.5
XLogP35.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass330.21949481
Monoisotopic Mass330.21949481
Topological Polar Surface Area49.7 Ų
Heavy Atom Count24
Formal Charge0
Complexity458
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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