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3-epi-25-Hydroxyvitamin D3 (6,19,19-[d3])

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General Information
Catalog: BLP-005722
Molecular Formula: C27H41D3O2
Molecular Weight: 403.66

Chemical Structure

Description	3-epi-25-Hydroxyvitamin D3 (6,19,19-[d3]) is intended for use as an internal standard for 3-epi-25-Hydroxy Vitamin D3. 3-epi-25-Hydroxy Vitamin D3 is the epimer metabolite of Calcifediol or 25-hydroxyvitamin D3.
IUPAC Name	(1R,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]-1-deuterioethylidene]-4-(dideuteriomethylidene)cyclohexan-1-ol
Related CAS	73809-05-9 (unlabelled)
Canonical SMILES	CC(CCCC(C)(C)O)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C
InChI	InChI=1S/C27H44O2/c1-19-10-13-23(28)18-22(19)12-11-21-9-7-17-27(5)24(14-15-25(21)27)20(2)8-6-16-26(3,4)29/h11-12,20,23-25,28-29H,1,6-10,13-18H2,2-5H3/b21-11+,22-12-/t20-,23-,24-,25+,27-/m1/s1/i1D2,12D
InChI Key	JWUBBDSIWDLEOM-BOFGWHLFSA-N
Purity	≥98% by CP; ≥98% atom D
Appearance	Solid
Storage	Store at -20°C