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8 (R) -Hydroxy-9 (S) -Hexahydrocannabinol

CAT: 0804-HY-168791-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-168791-01Size:1 mg
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Description
8 (R) -Hydroxy-9 (S) -Hexahydrocannabinol is a metabolite of hexahydrocannabinol (HHC) [1].
CAS Number
36403-92-6
UNSPSC
12352005
Target
Cannabinoid Receptor
Related Pathways
GPCR/G Protein; Neuronal Signaling
Field of Research
Neurological Disease
Smiles
OC1=C2[C@@]3([H])[C@](C[C@H]([C@H](C3)C)O)([H])C(C)(OC2=CC(CCCCC)=C1)C
Molecular Formula
C21H32O3
Molecular Weight
332.48
References & Citations
[1]D J Harvey, et al. In vitro metabolism of the equatorial C11-methyl isomer of hexahydrocannabinol in several mammalian species. Drug Metab Dispos. 1991 May-Jun;19 (3) :714-6.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

8(R)-Hydroxy-9(S)-Hexahydrocannabinol
CAS Number36403-92-6
PubChem CID102118411
IUPAC Name(6aR,8R,9S,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,9,10,10a-hexahydrobenzo[c]chromene-1,8-diol
Molecular FormulaC21H32O3
Molecular Weight332.5
XLogP6.5
Topological Polar Surface Area49.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count24
Formal Charge0
Complexity421
SMILES
CCCCCC1=CC(=C2[C@@H]3C[C@@H]([C@@H](C[C@H]3C(OC2=C1)(C)C)O)C)O
InChI
InChI=1S/C21H32O3/c1-5-6-7-8-14-10-18(23)20-15-9-13(2)17(22)12-16(15)21(3,4)24-19(20)11-14/h10-11,13,15-17,22-23H,5-9,12H2,1-4H3/t13-,15+,16+,17+/m0/s1
InChIKey
CIVSDEYXXUHBPV-RKTXRCNFSA-N
Chemical Structure
2D Structure
2D structure of 8(R)-Hydroxy-9(S)-Hexahydrocannabinol
CAS: 36403-92-6
CID: 102118411
Formula: C21H32O3
MW: 332.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight332.5
XLogP36.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass332.23514488
Monoisotopic Mass332.23514488
Topological Polar Surface Area49.7 Ų
Heavy Atom Count24
Formal Charge0
Complexity421
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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