rel-(9R,10S)-9,10,16-Trihydroxyhexadecanoic acid
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rel-(9R,10S)-9,10,16-Trihydroxyhexadecanoic acid
structure -
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CAS No:
533-87-9
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Formula:
C16H32O5
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Chemical Name:
rel-(9R,10S)-9,10,16-Trihydroxyhexadecanoic acid
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Synonyms:
Hexadecanoic acid,9,10,16-trihydroxy-,(9R,10S)-rel-;Hexadecanoic acid,9,10,16-trihydroxy-,(R*,S*)-(±)-;rel-(9R,10S)-9,10,16-Trihydroxyhexadecanoic acid;(±)-erythro-Aleuritic acid;DL-erythro-Aleuritic acid;α-Aleuritic acid;erythro-Aleuritic acid;NSC 7668;18951-77-4
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CAS No:
Description
Aleuritic acid ((±)-erythro-Aleuritic acid) is a major ingredient in shellac and used in the perfumery industry[1].
Aleuretic Acid is a long-chain fatty acid.
rel-(9R,10S)-9,10,16-Trihydroxyhexadecanoic acid Basic Attributes
304.42
304.42
1727724
232-692-7
25150
2918199090
Characteristics
98
2.5
White to beige Crystalline Powder
1.1±0.1 g/cm3
100.5 °C
516.7°C at 760 mmHg
280.4±25.2 °C
1.498
soluble in water, alcohol, acetic acid and acetone.
175.9 Ų [M+Na]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]
rel-(9R,10S)-9,10,16-Trihydroxyhexadecanoic acid Use and Manufacturing
α-Aleuritic acid is a major ingredient of shellac and is also a starting reagent in the manufacture of perfumes.
Hexadecanoic acid, 9,10,16-trihydroxy-, (9R,10S)-rel-: ACTIVE
Fatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Hydroxy fatty acids [FA0105]|Cosmetics -> Skin conditioning
Computed Properties
Molecular Weight:304.42
XLogP3:2.5
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:15
Exact Mass:304.22497412
Monoisotopic Mass:304.22497412
Topological Polar Surface Area:98
Heavy Atom Count:21
Complexity:245
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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rel-(9R,10S)-9,10,16-Trihydroxyhexadecanoic acid
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