Marine Chemistry / Alfa Chemistry
Farnesylacetone
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Farnesylacetone

CAS 1117-52-8
Structure 1117-52-8
Description (5E,9E)-6,10,14-Trimethylpentadeca-5,9,13-trien-2-one is a marine derived natural products found in Sargassum micracanthum.
Synonyms (E,E)-6,10,14-Trimethylpentadeca-5,9,13-trien-2-one
IUPAC Name (5E,9E)-6,10,14-Trimethylpentadeca-5,9,13-trien-2-one
Molecular Weight 262.4
Canonical SMILES CC(=CCCC(=CCCC(=CCCC(=O)C)C)C)C
InChI InChI=1S/C18H30O/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19/h9,11,13H,6-8,10,12,14H2,1-5H3/b16-11+,17-13+
InChI Key LTUMRKDLVGQMJU-IUBLYSDUSA-N
Boiling Point 147-148 °C
Purity 95%+
Density 0.88 g/mL at 20 °C (lit.)
Solubility Soluble in water and oils
Complexity 352
Covalently-Bonded Unit Count 1
Defined Atom Stereocenter Count 0
Exact Mass 262.229665576
Heavy Atom Count 19
Isomeric SMILES CC(=CCC/C(=C/CC/C(=C/CCC(=O)C)/C)/C)C
Monoisotopic Mass 262.229665576
Physical State Powder
Refractive Index n20/D 1.481
Storage Conditions Powder: -20°C for 3 years
In solvent: -80°C for 2 years
Topological Polar Surface Area 17.1 Ų

For Research Use Only. Not for use in diagnostic or therapeutic procedures.