Pristanic acid
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Pristanic acid
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CAS No:
1189-37-3
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Formula:
C19H38O2
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Chemical Name:
Pristanic acid
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Synonyms:
Pentadecanoic acid,2,6,10,14-tetramethyl-;2,6,10,14-Tetramethylpentadecanoic acid;Pristanic acid;14721-67-6
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CAS No:
Description
Solid
Solid
Pristanic acid is a branched, long-chain saturated fatty acid composed of pentadecanoic acid having methyl substituents at the 2-, 6-, 10- and 14-positions. It has a role as a human metabolite. It is a branched-chain saturated fatty acid, a long-chain fatty acid and a methyl-branched fatty acid. It is a conjugate acid of a pristanate.
Characteristics
37.3
8
ethanol solution
14 °C
−20°C
206.3 Ų [M+Na]+ [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]|178.79 Ų [M-H]- [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]
Pristanic acid Use and Manufacturing
Lipids -> Prenol Lipids [PR] -> Isoprenoids [PR01] -> C20 isoprenoids (diterpenes) [PR0104]
Computed Properties
Molecular Weight:298.5
XLogP3:8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:13
Exact Mass:298.287180451
Monoisotopic Mass:298.287180451
Topological Polar Surface Area:37.3
Heavy Atom Count:21
Complexity:260
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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