12-Deoxyphorbol-13-isobutyrate-20-acetate

Base Information

• Chemical Name: 12-Deoxyphorbol-13-isobutyrate-20-acetate
• CAS No.: 25090-71-5
• Molecular Formula: C26H36 O7
• Molecular Weight: 460.62
• DSSTox Substance ID: DTXSID10947952
• Nikkaji Number: J148.877E
• Wikidata: Q82925759
• Metabolomics Workbench ID: 138516
• ChEMBL ID: CHEMBL486418
• Mol file: 25090-71-5.mol

Synonyms:12-deoxyphorbol-13-isobutyrate-20-acetate

Chemical Property of 12-Deoxyphorbol-13-isobutyrate-20-acetate

Chemical Property:

• Appearance/Colour: Clear or whitish film adhered to inside of vial
• Vapor Pressure: 2.33E-15mmHg at 25°C
• Refractive Index: 1.5800 (estimate)
• Boiling Point: 569.9 ºCat 760 mmHg
• Flash Point: 184.7 ºC
• PSA: 110.13000
• Density: 1.25 g/cm³
• LogP: 2.73700
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 460.24610348
• Heavy Atom Count: 33
• Complexity: 975

Purity/Quality:

98%Min ^*data from raw suppliers

12-DEOXYPHORBOL 13-ISOBUTYRATE 20-ACETATE 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)COC(=O)C)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)COC(=O)C)O)C)O)OC(=O)C(C)C