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4-Hydroxy Estrone-[d4]

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General Information
Catalog: BLP-010571
CAS: 81586-98-3
Molecular Formula: C18H18D4O3
Molecular Weight: 290.39

Chemical Structure

Description	4-Hydroxy Estrone-[d4] is the labelled analogue of 4-Hydroxy Estrone, which is a metabolite of Estradiol.
Synonyms	4-Hydroxy Estrone D4; 3,4-Dihydroxyestra-1,3,5(10)-trien-17-one-d4; 3,4-Dihydroxy-1,3,5(10)-estratrien-17-one-d4; 4-Hydroxyestrone-1,2,16,16-d4
IUPAC Name	(8R,9S,13S,14S)-1,2,16,16-tetradeuterio-3,4-dihydroxy-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-one
Related CAS	3131-23-5 (unlabelled)
Isomeric SMILES	[2H]C1=C(C(=C(C2=C1[C@H]3CC[C@]4([C@H]([C@@H]3CC2)CC(C4=O)([2H])[2H])C)O)O)[2H]
Canonical SMILES	CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4O)O
InChI	InChI=1S/C18H22O3/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/h4,6,11-12,14,19,21H,2-3,5,7-9H2,1H3/t11-,12-,14+,18+/m1/s1/i4D,6D,7D2
InChI Key	XQZVQQZZOVBNLU-RFZGAVBWSA-N
Melting Point	>189°C (dec.)
Purity	98%; ≥96% atom D
Solubility	Slightly soluble in Chloroform, DMSO, Ethanol (Sonicated), Methanol
Appearance	Grey to Pale Beige Solid
Storage	Store at 2-8°C under inert atmosphere