Abn-delta(8)-tetrahydrocannabinol
Basic information
- CAS
114624-39-4- Standard SMILES
CC1=CC[C@@H]2[C@@H](C1)c1c(C)cc(O)cc1OC2(C)C- InChIKey
XAYRLUBHJAOWEN-ZIAGYGMSSA-N- Molecular formula
- C17H22O2
- Average molar mass
- 258.35 g/mol
- Monoisotopic mass
- 258.16197994
Overview
structure given in first source
Names & identifiers
- Preferred name
- Abn-delta(8)-tetrahydrocannabinol
- IUPAC
- (6aR,10aR)-1,6,6,9-tetramethyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-3-ol
- English name
- abn-delta(8)-tetrahydrocannabinol
- Molecular formula
- C17H22O2
- Molecular weight
- 258.36
Names & synonyms
Abn-delta(8)-thc114624-39-4Abn-delta(8)-tetrahydrocannabinolRefChem:108541SCHEMBL14041191SCHEMBL31545886DTXSID709214351,6,6,9-Tetramethyl-6a,7,10,10a-tetrahydro-6H-dibenzo[b,d]pyran-3-ol(6aR,10aR)-1,6,6,9-Tetramethyl-6a,7,10,10a-tetrahydro-6H-dibenzo[b,d]pyran-3-ol6H-Dibenzo[b,d]pyran-3-ol, 6a,7,10,10a-tetrahydro-1,6,6,9-tetramethyl-, (6aR-trans)- (9CI)
Database identifiers
- CAS
114624-39-4- PubChem CID
- 195099
- DTXSID
DTXSID70921435
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 385
Physicochemical properties
- Boiling point
- 369.765 · 369.765±42.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.06 · 1.060±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 9.945 · 9.945±0.60(predicted)
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Compound notes
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