Phorbol caprate, tiglate

Base Information

• Chemical Name: Phorbol caprate, tiglate
• CAS No.: 59086-92-9
• Molecular Formula: C35H52 O8
• Molecular Weight: 600.87
• ChEMBL ID: CHEMBL3586010
• Metabolomics Workbench ID: 51695
• Wikidata: Q27103656
• Mol file: 59086-92-9.mol

Synonyms:phorbol 12-tiglate 13-decanoate

Chemical Property of Phorbol caprate, tiglate

Chemical Property:

• Vapor Pressure: 2.05E-22mmHg at 25°C
• Refractive Index: 1.4900 (estimate)
• Boiling Point: 696.2°C at 760 mmHg
• Flash Point: 210.4°C
• PSA: 130.36000
• Density: 1.19g/cm³
• LogP: 5.13880
• XLogP3: 5.6
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 14
• Exact Mass: 600.36621861
• Heavy Atom Count: 43
• Complexity: 1210

Purity/Quality:

98%min ^*data from raw suppliers

PHORBOL-12-TIGLIATE-13-DECANOATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCC(=O)OC12C(C1(C)C)C3C=C(CC4(C(C3(C(C2OC(=O)C(=CC)C)C)O)C=C(C4=O)C)O)CO
• Isomeric SMILES: CCCCCCCCCC(=O)O[C@@]12[C@@H](C1(C)C)[C@@H]3C=C(C[C@]4([C@H]([C@]3([C@@H]([C@H]2OC(=O)/C(=C/C)/C)C)O)C=C(C4=O)C)O)CO