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(±) -9-Nor-9β-hydroxy Hexahydrocannabinol

CAT: 0804-HY-168793-01Size: 500 µgDry Ice: NoHazardous: No
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CAT#:0804-HY-168793-01Size:500 µg
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Description
(±) -9-Nor-9β-hydroxy Hexahydrocannabinol is structurally similar to known synthetic cannabinoids.
CAS Number
56469-25-1
UNSPSC
12352005
Target
Cannabinoid Receptor
Type
Reference compound
Related Pathways
GPCR/G Protein; Neuronal Signaling
Field of Research
Neurological Disease
Smiles
OC1=C2[C@@]3([H])[C@](CC[C@H](C3)O)([H])C(C)(OC2=CC(CCCCC)=C1)C
Molecular Formula
C20H30O3
Molecular Weight
318.45
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

(+/-)-9-nor-9beta-hydroxy Hexahydrocannabinol
CAS Number56469-25-1
PubChem CID44375635
IUPAC Name(6aR,9R,10aR)-6,6-dimethyl-3-pentyl-6a,7,8,9,10,10a-hexahydrobenzo[c]chromene-1,9-diol
Molecular FormulaC20H30O3
Molecular Weight318.4
XLogP6.1
Topological Polar Surface Area49.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count23
Formal Charge0
Complexity394
SMILES
CCCCCC1=CC(=C2[C@@H]3C[C@@H](CC[C@H]3C(OC2=C1)(C)C)O)O
InChI
InChI=1S/C20H30O3/c1-4-5-6-7-13-10-17(22)19-15-12-14(21)8-9-16(15)20(2,3)23-18(19)11-13/h10-11,14-16,21-22H,4-9,12H2,1-3H3/t14-,15-,16-/m1/s1
InChIKey
AAIHVZNCFQTVCA-BZUAXINKSA-N
Chemical Structure
2D Structure
2D structure of (+/-)-9-nor-9beta-hydroxy Hexahydrocannabinol
CAS: 56469-25-1
CID: 44375635
Formula: C20H30O3
MW: 318.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight318.4
XLogP36.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass318.21949481
Monoisotopic Mass318.21949481
Topological Polar Surface Area49.7 Ų
Heavy Atom Count23
Formal Charge0
Complexity394
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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