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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.

Estrone-[16,16-d2]

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General Information
Catalog: BLP-010804
CAS: 56588-58-0
Molecular Formula: C18H20D2O2
Molecular Weight: 272.38
Chemical Structure
Estrone-[16,16-d2]
Description Estrone-[16,16-d2] is the labelled analogue of Estrone, which is a metabolite of 17β-Estradiol.
Synonyms Estrone D2; 3-Hydroxyestra-1,3,5(10)-trien-17-one-d2; (+)-Estrone-d2; 1,3,5(10)-Estratrien-3-ol-17-one-d2; 3-Hydroxy-17-keto-estra-1,3,5-triene-d2; Aquacrine-d2; Crinovaryl-d2; Cristallovar-d2; Crystogen-d2; Wynestron-d2
IUPAC Name (8R,9S,13S,14S)-16,16-dideuterio-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-one
Related CAS 53-16-7 (unlabelled)
Isomeric SMILES [2H]C1(C[C@H]2[C@@H]3CCC4=C([C@H]3CC[C@@]2(C1=O)C)C=CC(=C4)O)[2H]
Canonical SMILES CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)O
InChI InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1/i7D2
InChI Key DNXHEGUUPJUMQT-XIMAIENTSA-N
Melting Point 247-250°C (dec.)
Purity 98%; 98% atom D
Solubility Soluble in DMSO, Ethanol, Methanol (Sparingly)
Appearance Off-white to Pale Beige Solid
Storage Store at -20°C
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