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17-β-Estradiol-[d3]-β-D-Glucuronide

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General Information
Catalog: BLP-010221
CAS: 1260231-06-8
Molecular Formula: C24H29D3O8
Molecular Weight: 451.52

Chemical Structure

Description	17-β-Estradiol-[d3]-β-D-Glucuronide is a labelled metabolite of Estradiol. Estradiol is the major estrogen secreted by the premenopausal ovary. Estrogens direct the development of the female genotype in embryogenesis and at puberty.
Synonyms	(17β)-17-Hydroxyestra-1,3,5(10)-trien-3-yl-d3; β-D-Glucopyranosiduronic Acid; 3-(β-D-Glucopyranuronosyloxy) Estra-1,3,5(10)-trien-17β-ol-d3; Estradiol-16,16,17-d3 3-Glucuronide
IUPAC Name	(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(8R,9S,13S,14S,17S)-16,16,17-trideuterio-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-3-yl]oxy]oxane-2-carboxylic acid
Related CAS	15270-30-1 (unlabelled)
Canonical SMILES	CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4)OC5C(C(C(C(O5)C(=O)O)O)O)O
InChI	InChI=1S/C24H32O8/c1-24-9-8-14-13-5-3-12(10-11(13)2-4-15(14)16(24)6-7-17(24)25)31-23-20(28)18(26)19(27)21(32-23)22(29)30/h3,5,10,14-21,23,25-28H,2,4,6-9H2,1H3,(H,29,30)/t14-,15-,16+,17+,18+,19+,20-,21+,23-,24+/m1/s1/i7D2,17D
InChI Key	MUOHJTRCBBDUOW-NCKPPFHHSA-N
Melting Point	184-193°C
Purity	95%
Solubility	Soluble in DMSO (Slightly), Ethanol (Slightly), Methanol (Slightly)
Appearance	White to Off-white Solid
Application	A labelled metabolite of Estradiol (E888000).