Basic information
- CAS
25952-85-6- Standard SMILES
CCCCCc1cc(O)c2c(c1)OC(C)(C)C1CC=C(CO)CC21- InChIKey
LOUSQMWLMDHRIK-UHFFFAOYSA-N- Molecular formula
- C21H30O3
- Average molar mass
- 330.5 g/mol
- Monoisotopic mass
- 330.21949481
Overview
metabolite of THC; RN given refers to cpd without isomeric designation
Names & identifiers
- Preferred name
- 6a,7,10,10a-Tetrahydro-1-hydroxy-6,6-dimethyl-3-pentyl-6H-dibenzo(b,d)pyran-9-methanol
- IUPAC
- 9-(hydroxymethyl)-6,6-dimethyl-3-pentyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol
- English name
- 6H-Dibenzo[b,d]pyran-9-methanol, 6a,7,10,10a-tetrahydro-1-hydroxy-6,6-dimethyl-3-pentyl-
- Molecular formula
- C21H30O3
- Molecular weight
- 330.46
Names & synonyms
11-Hydroxy-delta(8)-thc25952-85-611-Hydroxy-delta(8)-tetrahydrocannabinol(6aR-trans)-6a,7,10,10a-Tetrahydro-1-hydroxy-6,6-dimethyl-3-pentyl-6H-dibenzo(b,d)pyran-9-methanolRefChem:9140906a,7,10,10a-Tetrahydro-1-hydroxy-6,6-dimethyl-3-pentyl-6H-dibenzo(b,d)pyran-9-methanol9-(hydroxymethyl)-6,6-dimethyl-3-pentyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-olCHEMBL3277903SCHEMBL31395318DTXSID70948864ICX56001019-(Hydroxymethyl)-6,6-dimethyl-3-pentyl-6a,7,10,10a-tetrahydro-6H-dibenzo[b,d]pyran-1-ol
Show more names
6H-Dibenzo[b,d]pyran-9-methanol, 6a,7,10,10a-tetrahydro-1-hydroxy-6,6-dimethyl-3-pentyl-
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 4.5
- 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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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