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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.

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Metabolic Research

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

5β-Pregnan-3a,21-diol-20-one-[17a,21,21-d3]

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General Information
Catalog: BLP-010639
CAS: 72205-58-4
Molecular Formula: C21H31D3O3
Molecular Weight: 337.52
Chemical Structure
5β-Pregnan-3a,21-diol-20-one-[17a,21,21-d3]
Description 5β-Pregnan-3a,21-diol-20-one-[17a,21,21-d3] is the labelled analogue of 5β-Pregnan-3a,21-diol-20-one, which is a metabolite of 11-Deoxycorticosterone (DOC).
Synonyms 5β-Pregnan-3a,21-diol-20-one-17a,21,21-D3; 5beta-Pregnan-3alpha,21-Diol-20-One-17alpha,21,21-D3; (3α,5β)-3,21-Dihydroxypregnan-20-one-d3; α,21-Dihydroxy-5β-pregnan-20-one-d3; Deoxytetrahydrocorticosterone-d3; 21-Hydroxypregnanolone-d3; 3α,5β-Tetrahydrodeoxycorticosterone-d3; Tetrahydrodeoxycorticosterone-d3; Tetrahydro 11-Deoxycorticosterone-d3
IUPAC Name 2,2-dideuterio-1-[(3R,5R,8R,9S,10S,13S,14S,17S)-17-deuterio-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-hydroxyethanone
Related CAS 567-03-3 (unlabelled)
Canonical SMILES CC12CCC(CC1CCC3C2CCC4(C3CCC4C(=O)CO)C)O
InChI InChI=1S/C21H34O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h13-18,22-23H,3-12H2,1-2H3/t13-,14-,15+,16+,17+,18-,20+,21+/m1/s1/i12D2,18D
InChI Key CYKYBWRSLLXBOW-DHUHUZQJSA-N
Purity ≥97% atom D
Solubility Slightly soluble in Chloroform, Methanol
Appearance White Solid
Storage Store at 2-8°C
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