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Δ8-THCO

CAT: 0931-TN8957-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-TN8957-02Size:50 mg
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CAS Number
22972-64-1
Bioactivity
Δ8-THCO (delta 8-tetrahydrocannabinol) is a cannabinoid compound that can be isolated from medicinal cannabis (sp. Sativa) .
Smiles
OC1=C2[C@]3([C@](C(C)(C)OC2=CC(C)=C1)(CC=C(C)C3)[H])[H]
Molecular Formula
C17H22O2
Molecular Weight
258.355
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Delta8-Tetrahydrocannabiorcol
CAS Number22972-64-1
PubChem CID59964621
IUPAC Name(6aR,10aR)-3,6,6,9-tetramethyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol
Molecular FormulaC17H22O2
Molecular Weight258.35
XLogP3.7
Topological Polar Surface Area29.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count19
Formal Charge0
Complexity385
SMILES
CC1=CC[C@@H]2[C@@H](C1)C3=C(C=C(C=C3OC2(C)C)C)O
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/h5,8-9,12-13,18H,6-7H2,1-4H3/t12-,13-/m1/s1
InChIKey
MMZAEMNNHWYQKW-CHWSQXEVSA-N
Chemical Structure
2D Structure
2D structure of Delta8-Tetrahydrocannabiorcol
CAS: 22972-64-1
CID: 59964621
Formula: C17H22O2
MW: 258.35
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight258.35
XLogP33.7
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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