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16α-Hydroxy-17β-estradiol-[2,4-d2]

General Information
Catalog: BLP-010218
CAS: 53866-32-3
Molecular Formula: C18H22D2O3
Molecular Weight: 290.40
Chemical Structure
16α-Hydroxy-17β-estradiol-[2,4-d2]
Description 16α-Hydroxy-17β-estradiol-[2,4-d2] is the labelled analogue of Estriol, which is a metabolite of 17β-estradiol with much lower biological activity. It is the primary estrogen found in the urine. Large quantities of estriol and estrone are produced by the placenta during pregnancy. These are also the primary estrogens produced by adipose tissue in men and in post-menopausal women.
Synonyms Estriol-2,4-D2; [2H2]-16-alpha-Hydroxy-17-beta-estradiol
IUPAC Name (8R,9S,13S,14S,16R,17R)-2,4-dideuterio-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,16,17-triol
Related CAS 50-27-1 (unlabelled)
Canonical SMILES CC12CCC3C(C1CC(C2O)O)CCC4=C3C=CC(=C4)O
InChI InChI=1S/C18H24O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-17,19-21H,2,4,6-7,9H2,1H3/t13-,14-,15+,16-,17+,18+/m1/s1/i3D,8D
InChI Key PROQIPRRNZUXQM-JOFMCETISA-N
Boiling Point 469.0±45.0°C at 760 mmHg
Purity 98% atom D
Density 1.3±0.1 g/cm3

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