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Alfacalcidol-[d7]

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General Information
Catalog: BLP-003254
CAS: 41294-56-8
Molecular Formula: C27H37D7O2
Molecular Weight: 407.68

Chemical Structure

Description	Labelled Alfacalcidol, a synthetic analog of Calcitiol (the hormonal form of vitamin D3), which shows identical potency with respect to stimulation of intestinal calcium absorption and bone mineral mobilization. Vitamin D source.
Synonyms	5-[(2E)-2-[(1R,3aS,7aR)-1-[(1R)-1,5-Dimethylhexyl]octahydro-7a-methyl-4H-inden-4-ylidene]ethylidene]-4-methylene-1,3-cyclohexanediol-d7; 1-α-Hydroxycholecalciferol-d7; 1-α-Hydroxyvitamin D3-d7; Alpharol-d7; Alpha D3-d7; Etalpha-d7; Oxydevit-d7
IUPAC Name	(1R,3S)-5-[2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6,7,7,7-tetradeuterio-6-(trideuteriomethyl)heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
Related CAS	41294-56-8 (unlabelled)
Canonical SMILES	CC(C)CCCC(C)C1CCC2C1(CCCC2=CC=C3CC(CC(C3=C)O)O)C
InChI	InChI=1S/C27H44O2/c1-18(2)8-6-9-19(3)24-13-14-25-21(10-7-15-27(24,25)5)11-12-22-16-23(28)17-26(29)20(22)4/h11-12,18-19,23-26,28-29H,4,6-10,13-17H2,1-3,5H3/t19-,23-,24-,25+,26+,27-/m1/s1/i1D3,2D3,18D
InChI Key	OFHCOWSQAMBJIW-UZCPGXPGSA-N
Melting Point	134-136°C
Purity	> 98%