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Ercalcidiol-[d3]

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General Information
Catalog: BLP-013934
CAS: 1217467-39-4
Molecular Formula: C28H41D3O2
Molecular Weight: 415.67

Chemical Structure

Description	Ercalcidiol-[d3] is the labelled analogue of 25-Hydroxyvitamin D2, which is a metabolite of Vitamin D2.
Synonyms	25-Hydroxyvitamin D2 (6,19,19-d3)
IUPAC Name	(1S,3E)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,5S)-6-hydroxy-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	21343-40-8 (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)O)C)O)[2H]
Canonical SMILES	CC(C=CC(C)C(C)(C)O)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C
InChI	InChI=1S/C28H44O2/c1-19-10-14-24(29)18-23(19)13-12-22-8-7-17-28(6)25(15-16-26(22)28)20(2)9-11-21(3)27(4,5)30/h9,11-13,20-21,24-26,29-30H,1,7-8,10,14-18H2,2-6H3/b11-9?,22-12+,23-13+/t20-,21+,24+,25-,26+,28-/m1/s1/i1D2,13D
InChI Key	KJKIIUAXZGLUND-ABHIMYCLSA-N
Melting Point	88-95°C
Solubility	Soluble in Chloroform (Slightly), Ethanol (Slightly), Methanol (Slightly)
Appearance	White to Off-white Solid
Storage	Store at -20°C