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Cannabinol methyl ether

CAT: 0013-GTR19233095-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19233095-01Size:1 mg
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Description
Cannabinol methyl ether is a phytocannabinoid reference standard used in forensic and research analyses. It is sourced from Cannabis, derived from cannabinol, or synthesized. While its physiological properties are not fully characterized, it serves as a key compound for in vitro cannabinoid receptor interaction studies and metabolic profiling.
CAS Number
41935-92-6
Field of Research
Pharmacology & Drug Discovery
Smiles
O (C) C1=C2C=3C (C (C) (C) OC2=CC (CCCCC) =C1) =CC=C (C) C3
Molecular Formula
C22H28O2
Molecular Weight
324.5
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Cannabinol methylether

1-methoxy-6,6,9-trimethyl-3-pentylbenzo[c]chromene has been reported in Cannabis sativa with data available.

CAS Number41935-92-6
PubChem CID628150
IUPAC Name1-methoxy-6,6,9-trimethyl-3-pentylbenzo[c]chromene
Molecular FormulaC22H28O2
Molecular Weight324.5
XLogP6.4
Topological Polar Surface Area18.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Heavy Atom Count24
Formal Charge0
Complexity405
SMILES
CCCCCC1=CC2=C(C(=C1)OC)C3=C(C=CC(=C3)C)C(O2)(C)C
InChI
InChI=1S/C22H28O2/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/h10-14H,6-9H2,1-5H3
InChIKey
YEDIZIGYIMTZKP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cannabinol methylether
CAS: 41935-92-6
CID: 628150
Formula: C22H28O2
MW: 324.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight324.5
XLogP36.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass324.208930132
Monoisotopic Mass324.208930132
Topological Polar Surface Area18.5 Ų
Heavy Atom Count24
Formal Charge0
Complexity405
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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