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3-O-Methyl Estradiol-[d3]

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General Information
Catalog: BLP-002784
CAS: 57983-88-7
Molecular Formula: C19H23D3O2
Molecular Weight: 289.43

Chemical Structure

Description	3-O-Methyl Estradiol-[d3] is the labelled analogue of 3-O-Methyl Estradiol, which is a derivative of Estradiol.
Synonyms	3-O-Methyl Estradiol D3; (17β)-3-Methoxyestra-1,3,5(10)-trien-17-ol-d3; NSC 58851-d3; 17β-Estradiol-d3 3-Methyl Ether; 3-Methoxy-13β-methyl-1,3,5(10)-gonatrien-17β-ol-d3; 3-Methoxyestradiol-d3
IUPAC Name	(8R,9S,13S,14S,17S)-16,16,17-trideuterio-3-methoxy-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-ol
Related CAS	1035-77-4 (unlabelled)
Isomeric SMILES	[2H][C@]1([C@]2(CC[C@H]3[C@H]([C@@H]2CC1([2H])[2H])CCC4=C3C=CC(=C4)OC)C)O
Canonical SMILES	CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4)OC
InChI	InChI=1S/C19H26O2/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/h4,6,11,15-18,20H,3,5,7-10H2,1-2H3/t15-,16-,17+,18+,19+/m1/s1/i8D2,18D
InChI Key	ULAADVBNYHGIBP-NQZLLTOTSA-N