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Delta-Tocopherol-5-formyl-chroman-5-carboxylic acid-6-acetoxy-[d3]

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General Information
Catalog: BLP-013842
CAS: 842129-87-7
Molecular Formula: C31H47D3O5
Molecular Weight: 505.74

Chemical Structure

Description	Delta-Tocopherol-5-formyl-chroman-5-carboxylic acid-6-acetoxy-[d3] is the labelled analogue of Delta-Tocopherol-5-formyl-chroman-5-carboxylic acid-6-acetoxy, which is an intermediate in synthesizing γ-Tocopherol.
Synonyms	Delta-Tocopherol-5-formyl-chroman-5-carboxylic acid-6-acetoxy-d3; (2R)-6-(Acetyloxy)-3,4-dihydro-2,8-dimethyl-7-(methyl-d3)-2-[(4R,8R)-4,8,12-trimethyltridecyl]-2H-1-benzopyran-5-carboxylic Acid; 2H-1-Benzopyran-5-carboxylic acid, 6-(acetyloxy)-3,4-dihydro-2,8-dimethyl-7-(methyl-d3)-2-[(4R,8R)-4,8,12-trimethyltridecyl]-, (2R)-
IUPAC Name	(2R)-6-acetyloxy-2,8-dimethyl-7-(trideuteriomethyl)-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromene-5-carboxylic acid
Related CAS	835613-33-7 (unlabelled)
Canonical SMILES	CC1=C(C(=C(C2=C1OC(CC2)(C)CCCC(C)CCCC(C)CCCC(C)C)C(=O)O)OC(=O)C)C
InChI	InChI=1S/C31H50O5/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-31(8)19-17-26-27(30(33)34)29(35-25(7)32)24(6)23(5)28(26)36-31/h20-22H,9-19H2,1-8H3,(H,33,34)/t21-,22-,31-/m1/s1/i6D3
InChI Key	IKHRCBALWKJHLM-XTHTUBOISA-N
Purity	99% by HPLC
Solubility	Soluble in Chloroform, Dichloromethane, DMSO, Ethyl Acetate
Appearance	Yellow Oily Matter