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Ethynyl Estradiol-[d7]

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General Information
Catalog: BLP-005406
Molecular Formula: C20H17D7O2
Molecular Weight: 303.45

Chemical Structure

Synonyms	Ethynyl Estradiol-2,4,9,6,6,16,16-D7; (17α)-19-Norpregna-1,3,5(10)-trien-20-yne-3,17-diol-d7
IUPAC Name	(8R,9S,13S,14S,17R)-17-ethynyl-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-2,4,6,6,9,16,16-d7-3,17-diol
Related CAS	57-63-6 (unlabelled)
Canonical SMILES	CC12CCC3C(C1CCC2(C#C)O)CCC4=C3C=CC(=C4)O
InChI	InChI=1S/C20H24O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,5,7,12,16-18,21-22H,4,6,8-11H2,2H3/t16-,17-,18+,19+,20+/m1/s1/i4D2,6D2,8D,11D2/t8?,16-,17-,18+,19+,20+
InChI Key	BFPYWIDHMRZLRN-YFWWJEJJSA-N
Melting Point	>110°C (dec.)
Purity	>98%
Solubility	Soluble in Chloroform, Methanol, Pyridine
Appearance	White to Off-white Solid
Storage	Store at -20°C