11-Palmitoyloxy-delta(9)-tetrahydrocannabinol

Base Information

• Chemical Name: 11-Palmitoyloxy-delta(9)-tetrahydrocannabinol
• CAS No.: 70996-01-9
• Molecular Formula: C37H60 O4
• Molecular Weight: 568.8699
• DSSTox Substance ID: DTXSID40221217
• Wikidata: Q83098902
• Mol file: 70996-01-9.mol

Synonyms:11-palmitoyloxy-delta(9)-tetrahydrocannabinol;11-PDE-tetrahydrocannabinol

Chemical Property of 11-Palmitoyloxy-delta(9)-tetrahydrocannabinol

Chemical Property:

• Vapor Pressure: 1.11E-15mmHg at 25°C
• Boiling Point: 614.2°C at 760 mmHg
• Flash Point: 175.8°C
• PSA: 55.76000
• Density: 0.983g/cm³
• LogP: 10.74040
• XLogP3: 13.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 21
• Exact Mass: 568.44916039
• Heavy Atom Count: 41
• Complexity: 758

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCC(=O)OCC1=CCCC2C1C3=C(C=C(C=C3OC2(C)C)CCCCC)O
• Isomeric SMILES: CCCCCCCCCCCCCCCC(=O)OCC1=CCC[C@@H]2[C@@H]1C3=C(C=C(C=C3OC2(C)C)CCCCC)O