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3-O-Methyl Estrone-[d3]

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General Information
Catalog: BLP-010496
CAS: 1093230-99-9
Molecular Formula: C19H21D3O2
Molecular Weight: 287.41

Chemical Structure

Description	3-O-Methyl Estrone-[d3] is the labelled analogue of 3-O-Methyl Estrone, which is a derivative of Estrone. Estrone is one of the three naturally occurring estrogens, the others being estradiol and estriol.
Synonyms	3-O-Methyl Estrone D3; 3-(Methoxy-D3)-estra-1,3,5(10)-trien-17-one; 3-Methoxy-estra-1,3,5(10)-trien-17-one-d3; (+)-Estrone 3-Methyl Ether-d3; 3-Methoxyestrone-d3; 3-O-Methylestrone-d3; Estrone O-Methyl Ether-d3; NSC 88911-d3; Oestrone Methyl Ether-d3; Estrone 3-methyl-d3 ether
IUPAC Name	(8R,9S,13S,14S)-13-methyl-3-(trideuteriomethoxy)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
Related CAS	1624-62-0 (unlabelled)
Isomeric SMILES	[2H]C([2H])([2H])OC1=CC2=C(C=C1)[C@H]3CC[C@]4([C@H]([C@@H]3CC2)CCC4=O)C
Canonical SMILES	CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)OC
InChI	InChI=1S/C19H24O2/c1-19-10-9-15-14-6-4-13(21-2)11-12(14)3-5-16(15)17(19)7-8-18(19)20/h4,6,11,15-17H,3,5,7-10H2,1-2H3/t15-,16-,17+,19+/m1/s1/i2D3
InChI Key	BCWWDWHFBMPLFQ-YIJAEARJSA-N
Purity	>95%
Solubility	Slightly soluble in Acetonitrile, Chloroform, Ethyl Acetate, Methanol
Appearance	Dark Brown Solid
Storage	Store at 2-8°C