Basic information
- CAS
26108-40-7- Standard SMILES
CCCCCc1cc(O)c2c(c1)OC(C)(C)C1CCC(CO)=CC21- InChIKey
YCBKSSAWEUDACY-UHFFFAOYSA-N- Molecular formula
- C21H30O3
- Average molar mass
- 330.5 g/mol
- Monoisotopic mass
- 330.21949481
Overview
metabolite of marijuana; structure; RN given refers to cpd without isomeric designation
Names & identifiers
- Preferred name
- 11-hydroxy-Delta(9)-tetrahydrocannabinol
- IUPAC
- 9-(hydroxymethyl)-6,6-dimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol
- English name
- (+/-)-11-HYDROXY-DELTA9-THC-d3
- Molecular formula
- C21H30O3
- Molecular weight
- 330.46
Names & synonyms
11-Hydroxy-delta(9)-thc26108-40-711-Hydroxy-delta(9)-tetrahydrocannabinol7-Hydroxy-delta(1)-tetrahydrocannabinol6a,7,8,10a-Tetrahydro-1-hydroxy-6,6-dimethyl-3-pentyl-6H-dibenzo(b,d)pyran-9-methanolCHEBI:77270DTXSID20948995RefChem:907986DTXCID00219736NIOSH/HP6900000HP6900000011-Hydroxy-delta(sup 9)-tetrahydrocannabinol
Show more names
(+/-)-11-HYDROXY-DELTA9-THCRACEMIC DRONABINOL METABOLITE(+/-)-11-HYDROXY-DELTA9-THC-D3HYDROXY-DELTA 9 THC, (+/-)-11-(+/-)-11-HYDROXY-DELTA9-TETRAHYDROCANNABINOL6a,7,8,10a-Tetrahydro-1-hydroxy-6,6-dimethyl-3-pentyl-6H-dibenzo[b,d]pyran-9-methanol6H-Dibenzo[b,d]pyran-9-methanol, 6a,7,8,10a-tetrahydro-1-hydroxy-6,6-dimethyl-3-pentyl-
9-(hydroxymethyl)-6,6-dimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol6,6-Dimethyl-1-hydroxy-3-pentyl-6a,7,8,10a-tetrahydro-6H-dibenzo(b,d)pyran-9-methanol6H-Dibenzo(b,d)pyran-9-methanol, 6a,7,8,10a-tetrahydro-6,6-dimethyl-1-hydroxy-3-pentyl-11-Hydroxy-THC(?)-11-hydroxy-?9-THC(-)-11-?9-Tetrahydro Cannabinol-9-methanolEpitope ID:22455811-Hydroxy-delta-9-THC
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 456
Physicochemical properties
- Boiling point
- 437.1 · 437.1±45.0 °C(Predicted)
- Density
- 1.071 · 1.071±0.06 g/cm3(Predicted)
- pka
- 9.78 · 9.78±0.60(Predicted)
- FDA UNII
- 9 VY04N5SLB · 9VY04N5SLB
Chemistry & industry
Pharmacology
Tissue LocationsKidney
Cellular LocationsCytoplasm
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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