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17beta-Estradiol-[16,16,17-d3]

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General Information
Catalog: BLP-009269
CAS: 79037-37-9
Molecular Formula: C18H21D3O2
Molecular Weight: 275.37

Chemical Structure

Description	17beta-Estradiol-[16,16,17-d3] is a deuterated β-estradiol. Estradiol is the major estrogen secreted by the premenopausal ovary. Estrogens directs the development of the female genotype in embryogenesis and at puberty.
Synonyms	(17β)-Estra-1,3,5(10)-triene-3,17-diol-d3; 3,17-Epidihydroxyestratriene-d3; Cimara-d3; Estrace-d3; Estraderm-d3; Estradot-d3; Estring-d3; Estrofem-d3; Estrogel-d3; Evorel-d3
IUPAC Name	(8R,9S,13S,14S,17S)-16,16,17-trideuterio-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthrene-3,17-diol
Related CAS	50-28-2 (unlabelled)
Isomeric SMILES	[2H][C@]1([C@]2(CC[C@H]3[C@H]([C@@H]2CC1([2H])[2H])CCC4=C3C=CC(=C4)O)C)O
Canonical SMILES	CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4)O
InChI	InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1/i7D2,17D
InChI Key	VOXZDWNPVJITMN-SPGJGCHISA-N
Melting Point	178-179°C (lit.)
Purity	≥98% by HPLC
Solubility	Soluble in DMSO (Slightly), Ethanol (Slightly, Sonicated), Methanol (Slightly)
Appearance	White to Off-white Solid
Storage	Store at -20°C