Structural formula of Tri-13(E)-Docosenoin

Tri-13(E)-Docosenoin

Product number: 33-2211
CAS number: 37635-44-2
Synonyms: 13-Docosenoic acid, 1,2,3-propanetriyl ester, (E,E,E)-, Tribrassidin, (E)-13-Docosenoic acid triglyceride, Brassidic acid triglyceride

Identifiers

CAS Index Name: 13-Docosenoic acid, 1,2,3-propanetriyl ester, (13E,13′E,13′′E)-
Molecular formula: C69H128O6
Molecular weight: 1053.75
Lipid number: TG (22:1(13(Z)/22:1(13(Z)/22:1(13(Z))
Smiles: O=C(OCC(OC(=O)CCCCCCCCCCCC=CCCCCCCCC)COC(=O)CCCCCCCCCCCC=CCCCCCCCC)CCCCCCCCCCCC=CCCCCCCCC
Isomeric Smiles: C(OC(CCCCCCCCCCCC=CCCCCCCCC)=O)(COC(CCCCCCCCCCCC=CCCCCCCCC)=O)COC(CCCCCCCCCCCC=CCCCCCCCC)=O
InChI: InChI=1S/C69H128O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25-30,66H,4-24,31-65H2,1-3H3/b28-25+,29-26+,30-27+
InChIKey: InChIKey=XDSPGKDYYRNYJI-WUOFIQDXSA-N

Product information

Purity: >99%
Storage: Freezer
Supplied as: Neat
Physical state: Solid
Documentation: Certificate of Analysis
MSDS: Download

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33-2211-9Tri-13(E)-Docosenoin - mg118.00