Phorbol 12,13-dioctanoate

Base Information

• Chemical Name: Phorbol 12,13-dioctanoate
• CAS No.: 37558-18-2
• Molecular Formula: C36H56 O8
• Nikkaji Number: J1.297.931B
• Mol file: 37558-18-2.mol

Synonyms:Phorbol 12,13-dioctanoate;Phorbol, 12,13-dioctanoate;37558-18-2;Octanoic acid, 1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-9aH-cyclopropa(3,4)benz(1,2-e)azulene-9,9a-diyl ester, (1aR-(1aalpha,1bbeta,4abeta,7aalpha,7balpha,8alpha,9beta,9aalpha))-

Chemical Property of Phorbol 12,13-dioctanoate

Chemical Property:

• XLogP3: 6.3
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 17
• Exact Mass: 616.39751874
• Heavy Atom Count: 44
• Complexity: 1150

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCCCCC(=O)OC1C(C2(C(C=C(CC3(C2C=C(C3=O)C)O)CO)C4C1(C4(C)C)OC(=O)CCCCCCC)O)C
• Isomeric SMILES: CCCCCCCC(=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)CCCCCCC)O)C