6,6,9-Trimethyl-3-pentyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol

HCID 2977

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Basic information

CAS: 5957-75-5
Standard SMILES: CCCCCc1cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CC21
InChIKey: HCAWPGARWVBULJ-UHFFFAOYSA-N
Molecular formula: C21H30O2
Average molar mass: 314.5 g/mol
Monoisotopic mass: 314.2245802

Overview

See also: Delta-8-Tetrahydrocannabinol (annotation moved to).

Names & identifiers

Preferred name: 6,6,9-Trimethyl-3-pentyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol
IUPAC: 6,6,9-trimethyl-3-pentyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol

Names & synonyms

6,6,9-trimethyl-3-pentyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol.DELTA.6-Tetrahydrocannabinol.DELTA.1(6)-Tetrahydrocannabinol(-)-.DELTA.6-Tetrahydrocannabinol(-)-.DELTA.8-Tetrahydrocannabinol.DELTA.8-trans-Tetrahydrocannabinol6a,7,10,10a-tetrahydro-6,6,9-trimethyl-3-pentyl-6h-dibenzo[b,d]pyran-1-ol.delta.6-THC14132-18-4Cannabinol, .DELTA.1(6)-tetrahydro-.DELTA.1(6)-trans-Tetrahydrocannabinol(-)-.DELTA.8-trans-Tetrahydrocannabinol

Show more names

.DELTA.8-THC.DELTA.8-TetrahydrocannabinolNSC 134453trans-.DELTA.8-Tetrahydrocannabinol(-)-.DELTA.6-3,4-trans-Tetrahydrocannabinol.delta.-8-THC.delta.-(sup6)-THC.delta.-(sup8)-THC

Database identifiers

CAS: 5957-75-5
PubChem CID: 2977
ChEMBL: CHEMBL46518
Nikkaji: J280.521I

Properties

Computed structural properties

XLogP: 5.7
Topological polar surface area: 29.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 4
Heavy atoms: 23
Formal charge: 0
Complexity: 439

Experimental & physicochemical properties

LogP7.41

Related reactions

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Compound notes

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