1,2-Didocosahexaenoyl-3-oleoyl Glycerol - CAS 175029-92-2

Catalog:	BB066647
Product Name:	1,2-Didocosahexaenoyl-3-oleoyl Glycerol
CAS:	175029-92-2
Synonyms:	(4Z,4'Z,7Z,7'Z,10Z,10'Z,13Z,13'Z,16Z,16'Z,19Z,19'Z)-4,7,10,13,16,19-Docosahexaenoic Acid 1-[[(9Z)-9-Octadecenyloxy]methyl]-1,2-ethanediyl Ester

Technical Data

IUPAC Name:	[2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]oxy-3-[(Z)-octadec-9-enoxy]propyl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
Description:	1,2-Didocosahexaenoyl-3-oleoyl Glycerol, can be used in the synthesis of Diacyl glyceryl ethers (DGEs), which are shown to be related to the oil quality of marine foods during storage.
Molecular Weight:	963.5
Molecular Formula:	C65H102O5
Canonical SMILES:	CCCCCCCCC=CCCCCCCCCOCC(COC(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC)OC(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC
InChI:	InChI=1S/C65H102O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-64(66)69-62-63(61-68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)70-65(67)59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-30,33-36,40-41,43-44,49-50,52-53,63H,4-6,9,12-15,18,21-24,31-32,37-39,42,45-48,51,54-62H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,30-27-,35-33-,36-34-,43-40-,44-41-,52-49-,53-50-
InChI Key:	QFOADBFIUMJTSM-ZAIXUJORSA-N
References:	Yasushi, E. et al. Bios. Biot. Biochem., 60, 216 (1996).

Complexity:	1560
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	13
Exact Mass:	962.77272635
Formal Charge:	0
Heavy Atom Count:	70
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	962.77272635
Rotatable Bond Count:	51
Topological Polar Surface Area:	61.8Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	20.6