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Vitamin D2-[6,19,19-d3]

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General Information
Catalog: BLP-011646
CAS: 1217448-46-8
Molecular Formula: C28H41D3O
Molecular Weight: 399.67

Chemical Structure

Description	Vitamin D2-[6,19,19-d3] is the labelled analogue of Vitamin D2, a fat-soluble vitamin important for many biochemical processes including the absorption and metabolism of calcium and phosphorus.
Synonyms	Vitamin D2 (6,19,19-d3); VD2-D3; Vitamin D2-d3; (1S,3Z)-4-(Methylene-d2)-3-[(2E)-2-[(1R,3aS,7aR)-octahydro-7a-methyl-1-[(1R,2E,4R)-1,4,5-trimethyl-2-hexen-1-yl]-4H-inden-4-ylidene]ethylidene-1-d]-Cyclohexanol; Ergocalciferol-6,19,19-d3; Calciferol-6,19,19-d3; Viosterol-d3; Oleovitamin D2-d3; Deltalin-d3; Ercalciol-6,19,19-d3
IUPAC Name	(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]-1-deuterioethylidene]-4-(dideuteriomethylidene)cyclohexan-1-ol
Related CAS	50-14-6 (unlabelled)
Isomeric SMILES	[2H]C(=C\1CC[C@@H](C/C1=C(\[2H])/C=C/2\CCC[C@]3([C@H]2CC[C@@H]3[C@H](C)/C=C/[C@H](C)C(C)C)C)O)[2H]
Canonical SMILES	CC(C)C(C)C=CC(C)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C
InChI	InChI=1S/C28H44O/c1-19(2)20(3)9-10-22(5)26-15-16-27-23(8-7-17-28(26,27)6)12-13-24-18-25(29)14-11-21(24)4/h9-10,12-13,19-20,22,25-27,29H,4,7-8,11,14-18H2,1-3,5-6H3/b10-9+,23-12+,24-13-/t20-,22+,25-,26+,27-,28+/m0/s1/i4D2,13D
InChI Key	MECHNRXZTMCUDQ-OQGZBSKRSA-N
Melting Point	114-118°C
Purity	98% by CP; 97% atom D
Solubility	Soluble in Acetone, Chloroform, DMSO, Ethanol, Methanol
Appearance	Off-white Solid
Storage	Store at -20°C