Phorbol-12,13-didecanoate

Base Information

• Chemical Name: Phorbol-12,13-didecanoate
• CAS No.: 24928-17-4
• Deprecated CAS: 60493-75-6
• Molecular Formula: C40H64 O8
• Molecular Weight: 663.95
• DSSTox Substance ID: DTXSID50947810
• Nikkaji Number: J39.189A
• ChEMBL ID: CHEMBL3586009
• Mol file: 24928-17-4.mol

Synonyms:4 alpha-PDD;4 beta-PDD;beta-phorbol-12,13-didecanoate;phorbol-12,13-didecanoate;phorbol-12,13-didecanoate, (1aR-(1aalpha,1bbeta,4aalpha,7aalpha,7balpha,8alpha,9beta,9aalpha))-isomer

Chemical Property of Phorbol-12,13-didecanoate

Chemical Property:

• Vapor Pressure: 6.92E-25mmHg at 25°C
• Refractive Index: 1.546
• Boiling Point: 734.2°C at 760 mmHg
• PKA: 11.15±0.70(Predicted)
• Flash Point: 212.4°C
• PSA: 130.36000
• Density: 1.14g/cm³
• LogP: 7.31330
• Storage Temp.: -20°C
• XLogP3: 8.5
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 21
• Exact Mass: 672.46011900
• Heavy Atom Count: 48
• Complexity: 1220

Purity/Quality:

98%Min ^*data from raw suppliers

Phorbol-12,13-didecanoate ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCCCCCCCC(=O)OC1C(C2(C(C=C(CC3(C2C=C(C3=O)C)O)CO)C4C1(C4(C)C)OC(=O)CCCCCCCCC)O)C
• Isomeric SMILES: CCCCCCCCCC(=O)O[C@@H]1[C@H]([C@]2([C@@H](C=C(C[C@]3([C@H]2C=C(C3=O)C)O)CO)[C@H]4[C@@]1(C4(C)C)OC(=O)CCCCCCCCC)O)C
• Uses: Phorbol-12,13-didecanoate is a strong NO promoter and potent protein kinase C activator.