12-Deoxyphorbol-13-angelate

Base Information

• Chemical Name: 12-Deoxyphorbol-13-angelate
• CAS No.: 65700-60-9
• Molecular Formula: C25H34O6
• Molecular Weight: 430.59
• DSSTox Substance ID: DTXSID201310806
• Nikkaji Number: J721.016G
• Wikidata: Q105007454
• Mol file: 65700-60-9.mol

Synonyms:12-deoxyphorbol-13-angelate;12-deoxyphorbol-13-angelate, (1aR-(1aalph,1bbeta,4abeta,7aalph,7balpha,8alpha,9beta,9aalpha-(E)))-isomer

Chemical Property of 12-Deoxyphorbol-13-angelate

Chemical Property:

• Vapor Pressure: 4.5E-16mmHg at 25°C
• Refractive Index: 1.4593 (estimate)
• Boiling Point: 584°C at 760 mmHg
• Flash Point: 194.3°C
• PSA: 104.06000
• Density: 1.27g/cm³
• LogP: 2.47640
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 430.23553880
• Heavy Atom Count: 31
• Complexity: 942

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC=C(C)C(=O)OC12CC(C3(C(C1C2(C)C)C=C(CC4(C3C=C(C4=O)C)O)CO)O)C
• Isomeric SMILES: C/C=C(/C)\C(=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