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16α-Hydroxy-17β-estradiol-[2,4-d2]

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General Information
Catalog: BLP-010218
CAS: 53866-32-3
Molecular Formula: C18H22D2O3
Molecular Weight: 290.40

Chemical Structure

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