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THCA-A (CRM)

CAT: 0013-GTR19217237-04Size: 1 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19217237-04Size:1 g
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Description
THCA-A (CRM) is a certified reference material categorized as a phytocannabinoid.1 THCA-A is a common component of hashish but is non-psychoactive until heated via smoking, which converts it to Δ9-THC. THCA-A is regulated as a Schedule I compound in the United States. THCA-A (CRM) (Item No. ISO60175) is provided as a DEA exempt preparation. This product is intended for research and forensic applications.
CAS Number
23978-85-0
Purity
>98% (HPLC)
Smiles
[H][C@]12C3=C (C=C (CCCCC) C (C (O) =O) =C3O) OC (C) (C) [C@]1 ([H]) CCC (C) =C2
Molecular Formula
C22H30O4
Molecular Weight
358.5
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

delta9-Tetrahydrocannabinolic acid

Delta(9)-tetrahydrocannabinolic acid is a diterpenoid that is 6a,7,8,10a-tetrahydro-6H-benzo[c]chromene substituted at position 1 by a hydroxy group, positions 6, 6 and 9 by methyl groups and at position 3 by a pentyl group. A biosynthetic precursor to 9-tetrahydrocannabinol, the principal psychoactive constituent of the cannabis plant. It has a role as a metabolite, a biomarker, a neuroprotective agent and an anti-inflammatory agent. It is a diterpenoid, a polyketide, a hydroxy monocarboxylic acid, a benzochromene and a phytocannabinoid. It is a conjugate acid of a Delta(9)-tetrahydrocannabinolate.

CAS Number23978-85-0
PubChem CID98523
IUPAC Name(6aR,10aR)-1-hydroxy-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromene-2-carboxylic acid
Molecular FormulaC22H30O4
Molecular Weight358.5
XLogP7
Topological Polar Surface Area66.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count26
Formal Charge0
Complexity552
SMILES
CCCCCC1=CC2=C([C@@H]3C=C(CC[C@H]3C(O2)(C)C)C)C(=C1C(=O)O)O
InChI
InChI=1S/C22H30O4/c1-5-6-7-8-14-12-17-19(20(23)18(14)21(24)25)15-11-13(2)9-10-16(15)22(3,4)26-17/h11-12,15-16,23H,5-10H2,1-4H3,(H,24,25)/t15-,16-/m1/s1
InChIKey
UCONUSSAWGCZMV-HZPDHXFCSA-N
Chemical Structure
2D Structure
2D structure of delta9-Tetrahydrocannabinolic acid
CAS: 23978-85-0
CID: 98523
Formula: C22H30O4
MW: 358.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight358.5
XLogP37
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass358.21440943
Monoisotopic Mass358.21440943
Topological Polar Surface Area66.8 Ų
Heavy Atom Count26
Formal Charge0
Complexity552
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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