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2-Hydroxy Estrone-[d4]

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General Information
Catalog: BLP-012864
CAS: 81586-97-2
Molecular Formula: C18H18D4O3
Molecular Weight: 290.40

Chemical Structure

Description	2-Hydroxy Estrone-[d4] is the labelled analogue of 2-Hydroxy Estrone, which is metabolite of Estradiol.
Synonyms	2-Hydroxy Estrone D4; 2,3-Dihydroxyestra-1,3,5(10)-trien-17-one-d4; 2-Hydroxyestrone-d4; Catecholestrone-d4; 2-Hydroxyestrone-1,4,16,16-d4
IUPAC Name	(8R,9S,13S,14S)-1,4,16,16-tetradeuterio-2,3-dihydroxy-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-one
Related CAS	362-06-1 (unlabelled)
Isomeric SMILES	[2H]C1=C2CC[C@@H]3[C@@H](C2=C(C(=C1O)O)[2H])CC[C@]4([C@H]3CC(C4=O)([2H])[2H])C
Canonical SMILES	CC12CCC3C(C1CCC2=O)CCC4=CC(=C(C=C34)O)O
InChI	InChI=1S/C18H22O3/c1-18-7-6-11-12(14(18)4-5-17(18)21)3-2-10-8-15(19)16(20)9-13(10)11/h8-9,11-12,14,19-20H,2-7H2,1H3/t11-,12+,14-,18-/m0/s1/i5D2,8D,9D
InChI Key	SWINWPBPEKHUOD-PJZZMCTGSA-N
Melting Point	>177°C (dec.)
Purity	95% by HPLC; 98% atom D
Solubility	Soluble in DMSO (Slightly), Ethanol (Slightly), Methanol (Slightly)
Appearance	Dark Grey Solid
Storage	Store at -20°C