12-Deoxyphorbol-13-tetradecanoate

Base Information

• Chemical Name: 12-Deoxyphorbol-13-tetradecanoate
• CAS No.: 53414-26-9
• Molecular Formula: C34H54 O6
• Molecular Weight: 558.789
• European Community (EC) Number: 637-317-4
• DSSTox Substance ID: DTXSID10968086
• Nikkaji Number: J762.868D
• ChEMBL ID: CHEMBL4554038
• Mol file: 53414-26-9.mol

Synonyms:CCRIS 5575;12-Deoxyphorbol-13-tetradecanoate;53414-26-9;CHEMBL4554038;DTXSID10968086;12-Deoxyphorbol 13-tetradecanoate;4a,7b-Dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-9aH-cyclopropa[3,4]benzo[1,2-e]azulen-9a-yl tetradecanoate

Chemical Property of 12-Deoxyphorbol-13-tetradecanoate

Chemical Property:

• Vapor Pressure: 1.34E-20mmHg at 25°C
• Boiling Point: 666.4°Cat760mmHg
• Flash Point: 202.1°C
• Density: 1.13g/cm³
• XLogP3: 6.9
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 15
• Exact Mass: 558.39203944
• Heavy Atom Count: 40
• Complexity: 1010

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCCCCCCCCCCCC(=O)OC12CC(C3(C(C1C2(C)C)C=C(CC4(C3C=C(C4=O)C)O)CO)O)C
• Isomeric SMILES: CCCCCCCCCCCCCC(=O)O[C@@]12C[C@H]([C@]3([C@H]([C@@H]1C2(C)C)C=C(C[C@]4([C@H]3C=C(C4=O)C)O)CO)O)C