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25-Hydroxyvitamin D3-[23,24,25,26,27-13C5]

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General Information
Catalog: BLP-011460
Molecular Formula: C22[13C]5H44O2
Molecular Weight: 405.61

Chemical Structure

Description	25-Hydroxyvitamin D3-[23,24,25,26,27-13C5] is the labelled analogue of Calcifediol, which is a major circulating metabolite of vitamin D3 and acts as a competitive inhibitor.
Synonyms	25-Hydroxyvitamin D3-23,24,25,26,27-13C5; (3β,5Z,7E)-9,10-Secocholesta-5,7,10(19)-triene-3,25-diol-23,24,25,26,27-13C5; 25-Hydroxycholecalciferol-23,24,25,26,27-13C5; Calcidiol-23,24,25,26,27-13C5; Didrogyl-23,24,25,26,27-13C5; Hidroferol-23,24,25,26,27-13C5; Calcifediol-23,24,25,26,27-13C5
IUPAC Name	(1S,3Z)-3-[(2E)-2-[(1R,3aS,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	19356-17-3 (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	95%; 99% atom 13C
Solubility	Soluble in Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly), Ethanol
Appearance	Off-white Solid
Storage	Store at -20°C