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DiethylStilbesterol-[d8]

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General Information
Catalog: BLP-012312
CAS: 91318-10-4
Molecular Formula: C18H12D8O2
Molecular Weight: 276.4

Chemical Structure

Description	DiethylStilbesterol-[d8] is the labelled analogue of DiethylStilbesterol, which is a synthetic nonsteroidal estrogen.
Synonyms	DiethylStilbesterol D8; trans-Diethyl-1,1,1',1'-stilbestrol-3,3',5,5'-d8; 4,4'[(1E)-1,2-Diethyl-1,2-ethenediyl]bisphenol-d8; Stilbestrol-d8
IUPAC Name	2,6-dideuterio-4-[(E)-2,2,5,5-tetradeuterio-4-(3,5-dideuterio-4-hydroxyphenyl)hex-3-en-3-yl]phenol
Related CAS	56-53-1 (unlabelled)
Isomeric SMILES	[2H]C1=CC(=CC(=C1O)[2H])/C(=C(/C2=CC(=C(C(=C2)[2H])O)[2H])\C([2H])([2H])C)/C([2H])([2H])C
Canonical SMILES	CCC(=C(CC)C1=CC=C(C=C1)O)C2=CC=C(C=C2)O
InChI	InChI=1S/C18H20O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,19-20H,3-4H2,1-2H3/b18-17+/i3D2,4D2,9D,10D,11D,12D
InChI Key	RGLYKWWBQGJZGM-XWCVKCCGSA-N
Boiling Point	407.1±25.0 °C at 760 mmHg
Melting Point	168-171°C
Purity	95% by HPLC; 98% atom D
Density	1.1±0.1 g/cm3
Solubility	Soluble in DMSO, Methanol
Appearance	White to Off-white Solid
Storage	Store at -20°C