Δ9-tetrahydrocannabinolate

Δ<sup>9</sup>-tetrahydrocannabinolate




Chemical Formula:
C22H29O4
Molecular Weight:
357.469 Daltons
Monoisotopic Mass:
358.2144094514 Daltons
SMILES:
CCCCCC1(C(C([O-])=O)=C(O)C3(=C(C=1)OC(C)(C)[CH]2(CCC(C)=C[CH]23)))
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)/p-1/t15-,16-/m1/s1
InChIKey:
UCONUSSAWGCZMV-HZPDHXFCSA-M

Synonyms
  • 1-hydroxy-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromene-2-carboxylic acid
  • THCA
  • Δ9-tetrahydrocannabinolic acid

Databases
MetaCyc:  CPD-7169
MetaboLights:  MTBLC67078
ChEBI:  67078 66963
PubChem (CID):  70678828
Seed:  cpd24740
MetaNetX:  MNXM13309