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4-Methoxy 17-β-estradiol-[d3]

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General Information
Catalog: BLP-002944
CAS: 1334143-12-2
Molecular Formula: C19H23D3O3
Molecular Weight: 305.43

Chemical Structure

Description	4-Methoxy 17-β-estradiol-[d3] is the labelled analogue of 4-Methoxy-17β-estradiol, which is a metabolite of 17β-Estradiol.
Synonyms	4-Methoxy-d3 17-β-estradiol; (17β)-4-Methoxy-d3-estra-1,3,5(10)-triene-3,17-diol; 4-Methoxy-d3-estra-1,3,5(10)-triene-3,17β-diol; 4-Methoxy-d3-estradiol
IUPAC Name	(8R,9S,13S,14S,17S)-13-methyl-4-(trideuteriomethoxy)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
Related CAS	26788-23-8 (unlabelled)
Canonical SMILES	CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4OC)O
InChI	InChI=1S/C19H26O3/c1-19-10-9-12-11-5-7-16(20)18(22-2)14(11)4-3-13(12)15(19)6-8-17(19)21/h5,7,12-13,15,17,20-21H,3-4,6,8-10H2,1-2H3/t12-,13-,15+,17+,19+/m1/s1/i2D3
InChI Key	BCWZIZLVBYHFES-DXWICUSKSA-N
Melting Point	> 158 °C (dec.)
Purity	97%; ≥ 98% atom D
Solubility	Slightly soluble in Chloroform, Methanol
Appearance	Off-white to Pale Beige Solid
Storage	2-8 °C