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Hexestrol-[d6]

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General Information
Catalog: BLP-005952
CAS: 1215476-12-2
Molecular Formula: C18H16D6O2
Molecular Weight: 276.40

Chemical Structure

Description	Hexestrol-[d6] is an isotopically labelled analogue of Hexestrol, an estrogen and antineoplastic (hormonal).
Synonyms	rel-4,4'-[(1R,2S)-1,2-(Diethyl-d6)-1,2-ethanediyl]bisphenol; meso-3,4-Di(p-hydroxyphenyl)-n-hexane-d6; Cycloestrol-d6; Erythrohexestrol-d6; Estrifar-d6; Estronal-d6; meso-Hexestrol-d6
IUPAC Name	4-[(3S,4R)-1,1,1,6,6,6-hexadeuterio-4-(4-hydroxyphenyl)hexan-3-yl]phenol
Related CAS	5776-72-7 (unlabelled)
Canonical SMILES	CCC(C1=CC=C(C=C1)O)C(CC)C2=CC=C(C=C2)O
InChI	InChI=1S/C18H22O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,17-20H,3-4H2,1-2H3/t17-,18+/i1D3,2D3
InChI Key	PBBGSZCBWVPOOL-YDZIKZEOSA-N
Melting Point	183-186°C
Purity	95% by CP; 95% atom D
Solubility	Slightly soluble in Methanol, Acetone
Appearance	White Solid
Storage	Store at -20°C