3',11-Dihydroxy-delta(9)-tetrahydrocannabinol
Basic information
- CAS
59652-70-9- Standard SMILES
CCC(O)CCc1cc(O)c2c(c1)OC(C)(C)C1CCC(CO)=CC21- InChIKey
TVERZASQEULZFR-UHFFFAOYSA-N- Molecular formula
- C21H30O4
- Average molar mass
- 346.5 g/mol
- Monoisotopic mass
- 346.21440943
Overview
biologically active metabolite of THC; structure given in first source
Names & identifiers
- Preferred name
- 3',11-Dihydroxy-delta(9)-tetrahydrocannabinol
- IUPAC
- 9-(hydroxymethyl)-3-(3-hydroxypentyl)-6,6-dimethyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol
- English name
- 3',11-dihydroxy-delta(9)-tetrahydrocannabinol
- Molecular formula
- C21H30O4
- Molecular weight
- 346.4605
Names & synonyms
3',11-Dihydroxy-thc59652-70-93',11-Dihydroxytetrahydrocannabinol-delta(9)3',11-Dihydroxy-delta(9)-tetrahydrocannabinol6H-Dibenzo(b,d)pyran-3-propanol, alpha-ethyl-6a,7,8,10a-tetrahydro-1-hydroxy-9-(hydroxymethyl)-6,6-dimethyl-RefChem:902039-(hydroxymethyl)-3-(3-hydroxypentyl)-6,6-dimethyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-olSCHEMBL31546160DTXSID10975053DB-2200669-(Hydroxymethyl)-3-(3-hydroxypentyl)-6,6-dimethyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-ol9-(Hydroxymethyl)-3-(3-hydroxypentyl)-6,6-dimethyl-6a,7,8,10a-tetrahydro-6H-dibenzo[b,d]pyran-1-ol
Database identifiers
- CAS
59652-70-9- PubChem CID
- 194083
- DTXSID
DTXSID10975053
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 69.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 486
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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