Glyceral tri-6,7-dideutero stearate

SpectraBase Compound ID	JlSaZHPG5o
InChI	InChI=1S/C57H110O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h54H,4-53H2,1-3H3/i34D,35D,36D,37D,38D,39D
InChIKey	DCXXMTOCNZCJGO-RFIDDPIASA-N Google Search
Mol Weight	897.5 g/mol
Molecular Formula	C57H1042D6O6
Exact Mass	896.867902 g/mol

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SpectraBase Spectrum ID	8CXjrjb8NmC
Name	Glyceral tri-6,7-dideutero stearate
Alternate Name(s)	glyceryl tri(6,7-dideuterio-octadecanoate)
CAS Registry Number	55256-02-5
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C57H104D6O6
InChI	InChI=1S/C57H110O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h54H,4-53H2,1-3H3/i34D,35D,36D,37D,38D,39D
InChIKey	DCXXMTOCNZCJGO-RFIDDPIASA-N
Molecular Weight	897.538 g/mol
SMILES	C(OC(COC(=O)CCCCC(C(CCCCCCCCCCC)[2D])[2D])COC(=O)CCCCC(C(CCCCCCCCCCC)[2D])[2D])(=O)CCCCC(C(CCCCCCCCCCC)[2D])[2D]
SPLASH	splash10-0btd-9212002000-f183b3ae635a939d5272
Source of Spectrum	HO-0-1715-0
Wiley ID	66963