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Application Area
Environmental
Environmental

Stable isotope-labeled compounds are used as environmental pollutant standards for the detection of air, water, soil, sediment and food.

Clinical diagnostic
Clinical diagnostic

In addition to treating various diseases, isotopes are used for imaging, diagnosis, and newborn screening.

Organic Chemistry
Organic Chemistry

Small molecule compounds labeled with stable isotopes can be used as chemical reference for chemical identification, qualitative, quantitative, detection, etc. Various types of NMR solvents can be used to study the structure, reaction mechanism and reaction kinetics of compounds.

Metabolic Research
Metabolic Research

Stable isotope labeling allows researchers to study metabolic pathways in vivo in a safe manner.

25-Hydroxyvitamin D3-[d6] Monohydrate

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General Information
Catalog: BLP-006511
CAS: 2483831-70-3
Molecular Formula: C27H38D6O2.H2O
Molecular Weight: 424.69
Chemical Structure
25-Hydroxyvitamin D3-[d6] Monohydrate
Description 25-Hydroxyvitamin D3-[d6] Monohydrate is the labelled hydrate of Calcifediol, which is a major circulating metabolite of vitamin D3 and acts as a competitive inhibitor.
Synonyms 25-Hydroxyvitamin D3-26,26,26,27,27,27-d6 Monohydrate; Calcifediol-d6 monohydrate; 25-Hydroxycholecalciferol-d6 monohydrate; (1S,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]ethylidene]-4-methylidenecyclohexan-1-ol-d6 hydrate
IUPAC Name (1S,3Z)-3-[(2E)-2-[(7aR)-7a-methyl-1-[(2R)-7,7,7-trideuterio-6-hydroxy-6-(trideuteriomethyl)heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol;hydrate
Related CAS 63283-36-3 (unlabelled) 19356-17-3 (unlabelled anhydrous)
Canonical SMILES CC(CCCC(C)(C)O)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C.O
InChI InChI=1S/C27H44O2.H2O/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;1H2/b21-11+,22-12-;/t20-,23+,24?,25?,27-;/m1./s1/i3D3,4D3;
InChI Key WRLFSJXJGJBFJQ-DZAJWRDGSA-N
Purity 97% by CP; 98% atom D
Solubility Soluble in Ethanol
Appearance Powder
Storage Store at -20°C
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