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Δ9-Tetrahydrocannabiorcol

CAT: 0804-HY-168817Size: 1 EachDry Ice: NoHazardous: No
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Description
Δ9-Tetrahydrocannabiorcol is structurally similar to known phytocannabinoids[1].
CAS Number
22972-65-2
UNSPSC
12352005
Target
Cannabinoid Receptor
Related Pathways
GPCR/G Protein; Neuronal Signaling
Field of Research
Neurological Disease
Smiles
OC1=C2[C@@]3([H])[C@](CCC(C)=C3)([H])C(C)(OC2=CC(C)=C1)C
Molecular Formula
C17H22O2
Molecular Weight
258.36
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

delta1-Tetrahydrocannabiorcol
CAS Number22972-65-2
PubChem CID22805649
IUPAC Name(6aR,10aR)-3,6,6,9-tetramethyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol
Molecular FormulaC17H22O2
Molecular Weight258.35
XLogP4.9
Topological Polar Surface Area29.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count19
Formal Charge0
Complexity385
SMILES
CC1=C[C@@H]2[C@@H](CC1)C(OC3=CC(=CC(=C23)O)C)(C)C
InChI
InChI=1S/C17H22O2/c1-10-5-6-13-12(7-10)16-14(18)8-11(2)9-15(16)19-17(13,3)4/h7-9,12-13,18H,5-6H2,1-4H3/t12-,13-/m1/s1
InChIKey
WIDIPARNVYRVNW-CHWSQXEVSA-N
Chemical Structure
2D Structure
2D structure of delta1-Tetrahydrocannabiorcol
CAS: 22972-65-2
CID: 22805649
Formula: C17H22O2
MW: 258.35
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight258.35
XLogP34.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass258.161979940
Monoisotopic Mass258.161979940
Topological Polar Surface Area29.5 Ų
Heavy Atom Count19
Formal Charge0
Complexity385
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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