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4-Hydroxy-17-β-estradiol-[d5]

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General Information
Catalog: BLP-010576
CAS: 221093-38-5
Molecular Formula: C18H19D5O3
Molecular Weight: 293.41

Chemical Structure

Description	4-Hydroxy-17-β-estradiol-[d5] is the labelled analogue of 4-Hydroxy-17-β-estradiol, which is a metabolite of Estradiol.
Synonyms	4-Hydroxy-17-β-estradiol-D5; (17β)-Estra-1,3,5(10)-triene-3,4,17-triol-d5; 4-Hydroxyestradiol-d5; 4-Hydroxy-17b-estradiol-1,2,16,16,17-d5
IUPAC Name	(8R,9S,13S,14S,17S)-1,2,16,16,17-pentadeuterio-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthrene-3,4,17-triol
Related CAS	5976-61-4 (unlabelled)
Canonical SMILES	CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4O)O
InChI	InChI=1S/C18H24O3/c1-18-9-8-11-10-4-6-15(19)17(21)13(10)3-2-12(11)14(18)5-7-16(18)20/h4,6,11-12,14,16,19-21H,2-3,5,7-9H2,1H3/t11-,12-,14+,16+,18+/m1/s1/i4D,6D,7D2,16D
InChI Key	QOZFCKXEVSGWGS-FCHNIFCASA-N
Melting Point	>180°C (dec.)
Purity	≥98%; 98% atom D
Solubility	Slightly soluble in DMSO, Ethanol, Methanol
Appearance	Pale Beige Solid
Storage	Store at -20°C under inert atmosphere