2,4,6,8-Tetradecatetraenoic acid, 9a-(acetyloxy)-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1H-cyclopropa(3,4)benz(1,2-e)azulen-9-yl ester, (1aR-(1aalpha,1bbeta,4abeta,7aalpha,7balpha,8alpha,9beta,9aalpha))-

Base Information

• Chemical Name: 2,4,6,8-Tetradecatetraenoic acid, 9a-(acetyloxy)-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1H-cyclopropa(3,4)benz(1,2-e)azulen-9-yl ester, (1aR-(1aalpha,1bbeta,4abeta,7aalpha,7balpha,8alpha,9beta,9aalpha))-
• CAS No.: 64604-09-7
• Molecular Formula: C36H48 O8
• Molecular Weight: 608.84
• Nikkaji Number: J128.420G
• Wikidata: Q26840870
• Mol file: 64604-09-7.mol

Synonyms:12-O-tetradeca-2,4,6,8-tetranoylphorbol-13-acetate;12-OTTPA

Chemical Property of 2,4,6,8-Tetradecatetraenoic acid, 9a-(acetyloxy)-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1H-cyclopropa(3,4)benz(1,2-e)azulen-9-yl ester, (1aR-(1aalpha,1bbeta,4abeta,7aalpha,7balpha,8alpha,9beta,9aalpha))-

Chemical Property:

• Vapor Pressure: 1.13E-24mmHg at 25°C
• Refractive Index: 1.5290 (estimate)
• Boiling Point: 731.1°C at 760 mmHg
• Flash Point: 223.1°C
• PSA: 130.36000
• Density: 1.22g/cm³
• LogP: 4.85690
• XLogP3: 5.1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 13
• Exact Mass: 608.33491849
• Heavy Atom Count: 44
• Complexity: 1330

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC=CC=CC=CC=CC(=O)OC1C(C2(C(C=C(CC3(C2C=C(C3=O)C)O)CO)C4C1(C4(C)C)OC(=O)C)O)C
• Isomeric SMILES: CCCCC/C=C/C=C/C=C/C=C/C(=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)C)O)C