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3-Epi-25-Hydroxyvitamin D3-[13C5]

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General Information
Catalog: BLP-006629
CAS: 2482467-12-7
Molecular Formula: C22[13C]5H44O2
Molecular Weight: 405.60

Chemical Structure

Description	3-Epi-25-Hydroxyvitamin D3-[13C5] is the labelled analogue of 3-Epi-25-Hydroxyvitamin D3, which is the epimer metabolite of Calcifediol.
Synonyms	3-Epi-25-hydroxyvitamin D3-23,24,25,26,27-13C5; (εR,1R,3aS,4E,7aR)-Octahydro-4-[(2Z)-2-[(5R)-5-hydroxy-2-methylenecyclohexylidene]ethylidene]-α,α,ε,7a-tetramethyl-H-indene-1-pentanol-13C5; (3α,5Z,7E)-9,10-Seco-cholesta-5,7,10(19)-triene-3,25-diol-13C5; 3-epi-25-Hydroxyvitamin D3-13C5
IUPAC Name	(1R,3Z)-3-[(2E)-2-[(7aR)-1-[(2R)-6-hydroxy-6-(1-13C)methyl(4,5,6,7-13C4)heptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-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/i3+1,4+1,6+1,16+1,26+1
InChI Key	JWUBBDSIWDLEOM-UZYJFTCKSA-N
Purity	96%; 99% atom 13C
Solubility	Slightly soluble in Chloroform, Ethyl Acetate
Appearance	Off-white Solid
Storage	Store at -86°C under inert atmosphere