Structural formula of 1-Palmitin-2-Vaccenin-3-Olein

1-Palmitin-2-Vaccenin-3-Olein

Product number: 34-3022
CAS number: 2692623-16-6
Synonyms: 1-[[(1-Oxohexadecyl)oxy]methyl]-2-[[(9Z)-1-oxo-9-octadecen-1-yl]oxy]ethyl (11Z)-11-octadecenoate

Identifiers

CAS Index Name: 11-Octadecenoic acid, 1-[[(1-oxohexadecyl)oxy]methyl]-2-[[(9Z)-1-oxo-9-octadecen-1-yl]oxy]ethyl ester, (11Z)-
Molecular formula: C55H102O6
Molecular weight: 859.39
Lipid number: TG (16:0/18:1/18:1)
Smiles: O=C(OCC(OC(=O)CCCCCCCCCC=CCCCCCC)COC(=O)CCCCCCCCCCCCCCC)CCCCCCCC=CCCCCCCCC
Isomeric Smiles: C(OC(CCCCCCCCCC=CCCCCCC)=O)(COC(CCCCCCCC=CCCCCCCCC)=O)COC(CCCCCCCCCCCCCCC)=O
InChI: InChI=1/C55H102O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h20,23,25,27,52H,4-19,21-22,24,26,28-51H2,1-3H3/b23-20-,27-25-
InChIKey: InChIKey=BUBKDTQRUWZQHX-NJDMNPJTNA-N

Product information

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

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Citations