delta-9-Tetrahydrocannabinol-11-oic acid
[CAS# 64280-14-4]

Identification

• Name: delta-9-Tetrahydrocannabinol-11-oic acid
• Synonyms: 3-Amyl-1-Hydroxy-6,6-Dimethyl-6A,7,8,10A-Tetrahydrobenzo[C]Chromene-9-Carboxylic Acid; 11-Nor-Delta(9)-Tetrahydrocannabinol-9-Carboxylic Acid; 6H-Dibenzo(B,D)Pyran-9-Carboxylic Acid, 6A,7,8,10A-Tetrahydro-1-Hydroxy-6,6-Dimethyl-3-Pentyl-
• Molecular Formula: C₂₁H₂₈O₄
• Molecular Weight: 344.45
• CAS Registry Number: 64280-14-4
• SMILES: C1=C(CCCCC)C=C(C2=C1OC(C3C2C=C(C(O)=O)CC3)(C)C)O
• InChI: 1S/C21H28O4/c1-4-5-6-7-13-10-17(22)19-15-12-14(20(23)24)8-9-16(15)21(2,3)25-18(19)11-13/h10-12,15-16,22H,4-9H2,1-3H3,(H,23,24)
• InChIKey: YOVRGSHRZRJTLZ-UHFFFAOYSA-N

Properties

• Density: 1.141g/cm³ (Cal.)
• Boiling point: 466.883°C at 760 mmHg (Cal.)
• Flash point: 158.096°C (Cal.)

References

• (1): Kauppila Tiina J.. Rapid analysis of metabolites and drugs of abuse from urine samples by desorption electrospray ionization-mass spectrometry, The Analyst, 2007