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Δ8-THC methyl ether

CAT: 0013-GTR19241465-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19241465-01Size:25 mg
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Description
Δ8-THC methyl ether (compound 3) is a research cannabinoid exhibiting a high-affinity CB2 receptor docking score of -10.167 kcal/mol. It demonstrates in vivo antinociceptive effects in murine models, supporting its utility for studying cannabinoid receptor pharmacology and pain-related mechanisms.
CAS Number
1451-20-3
Field of Research
Pharmacology & Drug Discovery
Smiles
O (C) C1=C2[C@]3 ([C@] (C (C) (C) OC2=CC (CCCCC) =C1) (CC=C (C) C3) [H]) [H]
Molecular Formula
C22H32O2
Molecular Weight
328.49
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(6aR,10aR)-6a,7,10,10a-Tetrahydro-1-methoxy-6,6,9-trimethyl-3-pentyl-6H-dibenzo(b,d)pyran
CAS Number1451-20-3
PubChem CID15114753
IUPAC Name(6aR,10aR)-1-methoxy-6,6,9-trimethyl-3-pentyl-6a,7,10,10a-tetrahydrobenzo[c]chromene
Molecular FormulaC22H32O2
Molecular Weight328.5
XLogP6.1
Topological Polar Surface Area18.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Heavy Atom Count24
Formal Charge0
Complexity453
SMILES
CCCCCC1=CC2=C([C@@H]3CC(=CC[C@H]3C(O2)(C)C)C)C(=C1)OC
InChI
InChI=1S/C22H32O2/c1-6-7-8-9-16-13-19(23-5)21-17-12-15(2)10-11-18(17)22(3,4)24-20(21)14-16/h10,13-14,17-18H,6-9,11-12H2,1-5H3/t17-,18-/m1/s1
InChIKey
GRLARWXSTOXAGR-QZTJIDSGSA-N
Chemical Structure
2D Structure
2D structure of (6aR,10aR)-6a,7,10,10a-Tetrahydro-1-methoxy-6,6,9-trimethyl-3-pentyl-6H-dibenzo(b,d)pyran
CAS: 1451-20-3
CID: 15114753
Formula: C22H32O2
MW: 328.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight328.5
XLogP36.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass328.240230259
Monoisotopic Mass328.240230259
Topological Polar Surface Area18.5 Ų
Heavy Atom Count24
Formal Charge0
Complexity453
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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