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22:4 Cholesteryl ester-[d7]

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Category	Standards
Catalog NO.	BPG-3167
Product Name	22:4 Cholesteryl ester-[d7]
CAS	2342574-92-7
Molecular Formula	C49H73D7O2
Molecular Weight	708.20

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Synonyms	cholesteryl-d7 docosa-7,10,13,16-tetraenoate; 22:4 cholesteryl-d7 ester; CE(22:4)-d7; CE(22:4(7Z,10Z,13Z,16Z))-d7; cholest-5-en-3beta-yl (7Z,10Z,13Z,16Z-docosatetraenoate)-d7; Cholesteryl-d7 adrenate; CE 22:4-d7; (3beta)-cholest-5-en-3-yl (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate-d7
IUPAC Name	[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6,7,7,7-tetradeuterio-6-(trideuteriomethyl)heptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate
Canonical SMILES	CCCCCC=CCC=CCC=CCC=CCCCCCC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4C(C)CCCC(C)C)C)C
InChI	InChI=1S/C49H80O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-29-47(50)51-42-34-36-48(5)41(38-42)30-31-43-45-33-32-44(40(4)28-26-27-39(2)3)49(45,6)37-35-46(43)48/h11-12,14-15,17-18,20-21,30,39-40,42-46H,7-10,13,16,19,22-29,31-38H2,1-6H3/b12-11-,15-14-,18-17-,21-20-/t40-,42+,43+,44-,45+,46+,48+,49-/m1/s1/i2D3,3D3,39D
InChIKey	ITGTXSFLBABXQA-DDDMWDGUSA-N
Purity	>99%
Solubility	Soluble in DCM, Methanol
Related CAS	14940-92-2 (unlabelled)
Shelf Life	3 Months
Storage	Store at -20°C
Exact Mass	707.66
Hygroscopic	No
Light Sensitive	No
Percent Composition	C 83.10%, H 12.38%, O 4.52%

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