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Estetrol-[d4]

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General Information
Catalog: BLP-007911
Molecular Formula: C18H20D4O4
Molecular Weight: 308.41

Chemical Structure

Description	Estetrol-[d4] is the labelled analogue of Estetrol, which is a metabolite of Estradiol. It is a human steroid hormone produced by fetal liver from estradiol and estriol during pregnancy.
Synonyms	Estetrol-d4; (15α,16α,17β)-Estra-1,3,5(10)-triene-3,15,16,17-tetrol-d4; Estra-1,3,5(10)-triene-3,15α,16α,17β-tetrol-d4; 15α-Hydroxyestriol-d4; 3,15α,16α,17β-Tetrahydroxyestra-1,3,5(10)-triene-d4
IUPAC Name	(8R,9S,13S,14S,15R,16R,17R)-6,6,7,7-tetradeuterio-13-methyl-8,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthrene-3,15,16,17-tetrol
Related CAS	15183-37-6 (unlabelled)
Canonical SMILES	CC12CCC3C(C1C(C(C2O)O)O)CCC4=C3C=CC(=C4)O
InChI	InChI=1S/C18H24O4/c1-18-7-6-12-11-5-3-10(19)8-9(11)2-4-13(12)14(18)15(20)16(21)17(18)22/h3,5,8,12-17,19-22H,2,4,6-7H2,1H3/t12-,13-,14-,15-,16-,17+,18+/m1/s1/i2D2,4D2
InChI Key	AJIPIJNNOJSSQC-IOFFDVNPSA-N
Melting Point	233-237°C (dec.)
Purity	98%
Solubility	Soluble in DMSO, Methanol
Appearance	Off-white Solid
Storage	Store at -20°C