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18:1 cholesteryl ester-[d7]

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Category	Standards
Catalog NO.	BPG-3151
Product Name	18:1 cholesteryl ester-[d7]
CAS	1416275-35-8
Molecular Formula	C45H71D7O2
Molecular Weight	658.14

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Product Information

Synonyms	cholesteryl-d7 oleate; 18:1 cholesteryl-d7 ester
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] (Z)-octadec-9-enoate
Canonical SMILES	CCCCCCCCC=CCCCCCCCC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4C(C)CCCC(C)C)C)C
InChI	InChI=1S/C45H78O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-43(46)47-38-30-32-44(5)37(34-38)26-27-39-41-29-28-40(36(4)24-22-23-35(2)3)45(41,6)33-31-42(39)44/h14-15,26,35-36,38-42H,7-13,16-25,27-34H2,1-6H3/b15-14-/t36-,38+,39+,40-,41+,42+,44+,45-/m1/s1/i2D3,3D3,35D
InChIKey	RJECHNNFRHZQKU-IHPCOYDHSA-N
Purity	99% by CP; 99% atom D
Appearance	Methylene Chloride
Shelf Life	1 Year
Storage	Store at -20°C
Exact Mass	657.64
Hygroscopic	No
Light Sensitive	No
Percent Composition	C, 82.12; H, 13.02; O, 4.86

References

1. Liu T, Tan Z, Yu J, Peng F, Guo J, Meng W, Chen Y, Rao T, Liu Z, Peng J. A conjunctive lipidomic approach reveals plasma ethanolamine plasmalogens and fatty acids as early diagnostic biomarkers for colorectal cancer patients. Expert Rev Proteomics. 2020 Mar;17(3):233-242. doi: 10.1080/14789450.2020.1757443. Epub 2020 May 4. PMID: 32306783. PubMed ID: 32306783.

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