(6aR,10aR)-3-(1,1-Dimethylheptyl)-6a,7,10,10a-tetrahydro-6,6,9-trimethyl-6H-dibenzo(b,d)pyran

HCID 129128

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Basic information

CAS: 105823-04-9
Standard SMILES: CCCCCCC(C)(C)c1ccc2c(c1)OC(C)(C)[C@@H]1CC=C(C)C[C@@H]21
InChIKey: JEEFMLVJZKFOFV-FCHUYYIVSA-N
Molecular formula: C25H38O
Average molar mass: 354.6 g/mol
Monoisotopic mass: 354.29226583

Overview

Rn given for (6aR-trans)-isomer; structure in first source

Names & identifiers

Preferred name: (6aR,10aR)-3-(1,1-Dimethylheptyl)-6a,7,10,10a-tetrahydro-6,6,9-trimethyl-6H-dibenzo(b,d)pyran
IUPAC: (6aR,10aR)-6,6,9-trimethyl-3-(2-methyloctan-2-yl)-6a,7,10,10a-tetrahydrobenzo[c]chromene
English name: 1',2'-dimethylheptyl-1-deoxy-delta(8)-tetrahydrocannabinol
Molecular formula: C25H38O
Molecular weight: 354.56862

Names & synonyms

1-Deoxy-delta(8)-THC DMH8I28LF0B2D105823-04-91',2'-Dimethylheptyl-1-deoxy-delta(8)-tetrahydrocannabinol1-Deoxy-delta(8)-1',2'-dimethylheptyltetrahydrocannabinolRefChem:906244(6aR,10aR)-3-(1,1-Dimethylheptyl)-6a,7,10,10a-tetrahydro-6,6,9-trimethyl-6H-dibenzo(b,d)pyranCHEMBL57723UNII-8I28LF0B2DSCHEMBL8311720SCHEMBL31545477DTXSID90147357

Show more names

JWH 057JWH-057BDBM50287933(6aR,10aR)-3-(1,1-Dimethyl-heptyl)-6,6,9-trimethyl-6a,7,10,10a-tetrahydro-6H-benzo[c]chromene(6aR,10aR)-6,6,9-Trimethyl-3-(2-methyloctan-2-yl)-6a,7,10,10a-tetrahydro-6H-dibenzo[b,d]pyran6H-DIBENZO(B,D)PYRAN, 3-(1,1-DIMETHYLHEPTYL)-6A,7,10,10A-TETRAHYDRO-6,6,9-TRIMETHYL-, (6AR-TRANS)-

Database identifiers

CAS: 105823-04-9
PubChem CID: 129128
DTXSID: DTXSID90147357
ChEMBL: CHEMBL57723

Properties

Computed structural properties

XLogP: 8
Topological polar surface area: 9.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 6
Heavy atoms: 26
Formal charge: 0
Complexity: 500

Physicochemical properties

FDA UNII: 8 I28LF0B2D · 8I28LF0B2D

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