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2-Hydroxy-17β-estradiol-[1,4,16,16,17-d5]

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General Information
Catalog: BLP-012862
CAS: 221093-33-0
Molecular Formula: C18H19D5O3
Molecular Weight: 293.42

Chemical Structure

Description	2-Hydroxy-17β-estradiol-[1,4,16,16,17-d5] is the labelled analogue of 2-Hydroxy-17β-estradiol, which is a metabolite of Estradiol.
Synonyms	2-Hydroxy-17β-estradiol-1,4,16,16,17-D5; 2-Hydroxyestradiol-1,4,16,16,17-d5; (17beta)-Estra-1,3,5(10)-triene-2,3,17-triol-1,4,16,16,17-d5; Estra-1,3,5(10)-triene-2,3,17beta-triol-1,4,16,16,17-d5
IUPAC Name	(8R,9S,13S,14S,17S)-1,4,16,16,17-pentadeuterio-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthrene-2,3,17-triol
Related CAS	362-05-0 (unlabelled)
Canonical SMILES	CC12CCC3C(C1CCC2O)CCC4=CC(=C(C=C34)O)O
InChI	InChI=1S/C18H24O3/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/h8-9,11-12,14,17,19-21H,2-7H2,1H3/t11-,12+,14-,17-,18-/m0/s1/i5D2,8D,9D,17D
InChI Key	DILDHNKDVHLEQB-MLEVBVPTSA-N
Boiling Point	481.5±45.0 °C at 760 mmHg
Purity	95% by HPLC; 98% atom D
Density	1.2±0.1 g/cm3
Storage	Store at -20°C