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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.

Equilenin-[4,16,16-d3]

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General Information
Catalog: BLP-010801
CAS: 56588-54-6
Molecular Formula: C18H15D3O2
Molecular Weight: 269.35
Chemical Structure
Equilenin-[4,16,16-d3]
Description Equilenin-[4,16,16-d3] is the labelled analogue of Equilenin, which is an estrogenic steroid hormone obtained from the urine of pregnant mares.
Synonyms Equilenin D3; 3-Hydroxyestra-1,3,5,7,9-pentaen-17-one-d3; (+)-Equilenin-d3; 3-Hydroxyestra-1,3,5(10),6,8-pentaen-17-one-d3; Equilenine-d3; NSC 9901-d3; d-Equilenin-d3; Estra-1,3,5,7,9-pentaen-17-one-4,16,16-d3, 3-hydroxy-
IUPAC Name (13S,14S)-4,16,16-trideuterio-3-hydroxy-13-methyl-11,12,14,15-tetrahydrocyclopenta[a]phenanthren-17-one
Related CAS 517-09-9 (unlabelled)
Isomeric SMILES [2H]C1=C(C=CC2=C1C=CC3=C2CC[C@]4([C@H]3CC(C4=O)([2H])[2H])C)O
Canonical SMILES CC12CCC3=C(C1CCC2=O)C=CC4=C3C=CC(=C4)O
InChI InChI=1S/C18H18O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h2-5,10,16,19H,6-9H2,1H3/t16-,18-/m0/s1/i7D2,10D
InChI Key PDRGHUMCVRDZLQ-POWJHRNTSA-N
Purity ≥95%; ≥97% atom D
Solubility Slightly soluble in DMSO, Methanol (Heated)
Appearance Light Beige Solid
Storage Store at 2-8°C
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