12-Deoxyphorbol 13-isobutyrate

Base Information

• Chemical Name: 12-Deoxyphorbol 13-isobutyrate
• CAS No.: 25090-74-8
• Molecular Formula: C24H34 O6
• Molecular Weight: 418.52
• Hs Code.: 2916200090
• European Community (EC) Number: 692-882-4
• NSC Number: 632857
• DSSTox Substance ID: DTXSID30947954
• Nikkaji Number: J148.868F
• Wikidata: Q82925761
• Metabolomics Workbench ID: 142333
• ChEMBL ID: CHEMBL528106
• Mol file: 25090-74-8.mol

Synonyms:12-deoxyphorbol 13-isobutyrate;12-DPIB

Chemical Property of 12-Deoxyphorbol 13-isobutyrate

Chemical Property:

• Vapor Pressure: 4.09E-15mmHg at 25°C
• Boiling Point: 564.9°Cat760mmHg
• PKA: 11.35±0.70(Predicted)
• Flash Point: 188.6°C
• PSA: 104.06000
• Density: 1.26g/cm³
• LogP: 2.02210
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 418.23553880
• Heavy Atom Count: 30
• Complexity: 869

Purity/Quality:

99%min ^*data from raw suppliers

12-DEOXYPHORBOL 13-ISOBUTYRATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CC2(C(C2(C)C)C3C1(C4C=C(C(=O)C4(CC(=C3)CO)O)C)O)OC(=O)C(C)C
• Isomeric SMILES: C[C@@H]1C[C@@]2([C@@H](C2(C)C)[C@H]3[C@]1([C@@H]4C=C(C(=O)[C@]4(CC(=C3)CO)O)C)O)OC(=O)C(C)C