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16-Epiestriol-[d6]

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General Information
Catalog: BLP-010219
CAS: 221093-41-0
Molecular Formula: C18H18D6O3
Molecular Weight: 294.42

Chemical Structure

Description	16-Epiestriol-[d6] is a labelled metabolite of Estradiol. Estriol is one of the three main estrogens produced by the human body.
Synonyms	(16β,17β)-Estra-1,3,5(10)-triene-3,16,17-triol-d6; Estra-1,3,5(10)-triene-3,16β,17β-triol-d6; 16-Epiestratriol-d6; 16β,17β-Estriol-d6; 16β-Hydroxyestradiol-d6; Actriol-d6; Epiestriol-d6; NSC 26646-d6
IUPAC Name	(8R,9S,13S,14S,16S,17R)-2,4,15,15,16,17-hexadeuterio-13-methyl-7,8,9,11,12,14-hexahydro-6H-cyclopenta[a]phenanthrene-3,16,17-triol
Related CAS	547-81-9 (unlabelled)
Isomeric SMILES	[2H]C1=CC2=C(CC[C@@H]3[C@@H]2CC[C@]4([C@H]3C([C@]([C@]4([2H])O)([2H])O)([2H])[2H])C)C(=C1O)[2H]
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,9D2,16D,17D
InChI Key	PROQIPRRNZUXQM-BRKOECIYSA-N
Boiling Point	469.02ºC at 760 mmHg
Melting Point	289-291°C (lit.)
Purity	95%
Density	1.282g/cm3
Solubility	Soluble in Ethanol
Appearance	Crystalline Solid
Application	A labelled metabolite of Estradiol.
Storage	Store at -20°C