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Estrone-[16,16-d2]

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General Information
Catalog: BLP-010804
CAS: 56588-58-0
Molecular Formula: C18H20D2O2
Molecular Weight: 272.38

Chemical Structure

Description	Estrone-[16,16-d2] is the labelled analogue of Estrone, which is a metabolite of 17β-Estradiol.
Synonyms	Estrone D2; 3-Hydroxyestra-1,3,5(10)-trien-17-one-d2; (+)-Estrone-d2; 1,3,5(10)-Estratrien-3-ol-17-one-d2; 3-Hydroxy-17-keto-estra-1,3,5-triene-d2; Aquacrine-d2; Crinovaryl-d2; Cristallovar-d2; Crystogen-d2; Wynestron-d2
IUPAC Name	(8R,9S,13S,14S)-16,16-dideuterio-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-one
Related CAS	53-16-7 (unlabelled)
Isomeric SMILES	[2H]C1(C[C@H]2[C@@H]3CCC4=C([C@H]3CC[C@@]2(C1=O)C)C=CC(=C4)O)[2H]
Canonical SMILES	CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)O
InChI	InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1/i7D2
InChI Key	DNXHEGUUPJUMQT-XIMAIENTSA-N
Melting Point	247-250°C (dec.)
Purity	98%; 98% atom D
Solubility	Soluble in DMSO, Ethanol, Methanol (Sparingly)
Appearance	Off-white to Pale Beige Solid
Storage	Store at -20°C