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Cannabigerorcin

CAT: 0013-GTR19233020-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19233020-01Size:1 mg
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Description
Cannabigerorcin is a phytocannabinoid analytical standard intended for research and forensic use. It supports in vitro and in vivo studies investigating the pharmacology and metabolism of novel cannabinoids within forensic science and biochemical research.
CAS Number
38106-51-3
Field of Research
Pharmacology & Drug Discovery
Smiles
CC (C) =CCC\C (C) =C\Cc1c (O) cc (C) cc1O
Molecular Formula
C17H24O2
Molecular Weight
260.377
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Cannabigerorcin
CAS Number38106-51-3
PubChem CID102023818
IUPAC Name2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-methylbenzene-1,3-diol
Molecular FormulaC17H24O2
Molecular Weight260.4
XLogP5.4
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Heavy Atom Count19
Formal Charge0
Complexity314
SMILES
CC1=CC(=C(C(=C1)O)C/C=C(\C)/CCC=C(C)C)O
InChI
InChI=1S/C17H24O2/c1-12(2)6-5-7-13(3)8-9-15-16(18)10-14(4)11-17(15)19/h6,8,10-11,18-19H,5,7,9H2,1-4H3/b13-8+
InChIKey
MISXGGZQFZIVMF-MDWZMJQESA-N
Chemical Structure
2D Structure
2D structure of Cannabigerorcin
CAS: 38106-51-3
CID: 102023818
Formula: C17H24O2
MW: 260.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight260.4
XLogP35.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass260.177630004
Monoisotopic Mass260.177630004
Topological Polar Surface Area40.5 Ų
Heavy Atom Count19
Formal Charge0
Complexity314
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

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CatalogName
GTR19233022-01Cannabigerorcinic Acid

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