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trans-11-Octadecenoic acid-[13C5]

General Information
Catalog: BLP-000248
CAS: 1255644-59-7
Molecular Formula: C13[13C]5H34O2
Molecular Weight: 287.42
Chemical Structure
trans-11-Octadecenoic acid-[13C5]
Description trans-11-Octadecenoic acid-[13C5], is the labelled analogue of Vaccenic acid. Vaccenic acid is a naturally occurring trans fatty acid. It is the predominant kind of trans-fatty acid found in human milk, in the fat of ruminants, and in dairy products such as milk, butter, and yogurt.
Synonyms trans-Vaccenic acid-1,2,3,9,10-13C5; trans-11-Octadecenoic acid-1,2,3,9,10-13C5; (11E)-(1,2,3,9,10-13C5)Octadec-11-enoic acid
IUPAC Name (E)-(1,2,3,9,10-13C5)octadec-11-enoic acid
Related CAS 693-72-1 (unlabelled)
Canonical SMILES CCCCCCC=CCCCCCCCCCC(=O)O
InChI InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h7-8H,2-6,9-17H2,1H3,(H,19,20)/b8-7+/i9+1,10+1,16+1,17+1,18+1
InChI Key UWHZIFQPPBDJPM-HRAXCDOYSA-N
Melting Point 43-44 °C (lit.)
Purity 97% (CP); 99% atom 13C
Appearance Solid
Storage Store at -20°C

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