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Cannabigerol

CAT: 0127-BUP12150-06Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP12150-06Size:500 mg
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CAS Number
25654-31-3
Purity
=98%
Smiles
C(CCCC)C1=CC(O)=C(C/C=C(/CCC=C(C)C)\C)C(O)=C1

Chemical Information

Cannabigerol

Cannabigerol is a member of the class of resorcinols that is resorcinol which is substituted by a (2E)-3,7-dimethylocta-2,6-dien-1-yl group at position 2 and by a pentyl group at position 5. It is a natural product found in Cannabis sativa and Helichrysum species. It has a role as an antioxidant, an antibacterial agent, an appetite enhancer, a neuroprotective agent, a cannabinoid receptor agonist, an anti-inflammatory agent and a plant metabolite. It is a member of resorcinols and a phytocannabinoid.

CAS Number25654-31-3
PubChem CID5315659
IUPAC Name2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-pentylbenzene-1,3-diol
Molecular FormulaC21H32O2
Molecular Weight316.5
XLogP7.4
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count9
Heavy Atom Count23
Formal Charge0
Complexity367
SMILES
CCCCCC1=CC(=C(C(=C1)O)C/C=C(\C)/CCC=C(C)C)O
InChI
InChI=1S/C21H32O2/c1-5-6-7-11-18-14-20(22)19(21(23)15-18)13-12-17(4)10-8-9-16(2)3/h9,12,14-15,22-23H,5-8,10-11,13H2,1-4H3/b17-12+
InChIKey
QXACEHWTBCFNSA-SFQUDFHCSA-N
Chemical Structure
2D Structure
2D structure of Cannabigerol
CAS: 25654-31-3
CID: 5315659
Formula: C21H32O2
MW: 316.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight316.5
XLogP37.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count9
Exact Mass316.240230259
Monoisotopic Mass316.240230259
Topological Polar Surface Area40.5 Ų
Heavy Atom Count23
Formal Charge0
Complexity367
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
ALX-430-154-M001Cannabigerol
HY-172540Cyclo-Cannabigerol
HY-150347Cannabigerol diacetate
269511-01Cannabigerol discontinued
CS-O-52628Cannabigerol D9
T40369-01Cannabigerol monomethyl ether
443882-01Cannabigerol-d9 discontinued
HY-137960-01O, O-Dimethyl-cannabigerol
HY-170709-016',7'-Epoxy cannabigerol
433062-014-Methyl Cannabigerol discontinued

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