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2-Methoxy-17β-estradiol-1,4,16,16,17-[d5]

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General Information
Catalog: BLP-005700
Molecular Formula: C19H21D5O3
Molecular Weight: 307.44

Chemical Structure

Description	2-Methoxy-17β-estradiol-1,4,16,16,17-[d5] is intended for use as an internal standard for 2-Methoxy-17β-estradiol. 2-methoxy Estradiol (2-ME2) is a natural metabolite formed by CYP450-mediated hydroxylation followed by catechol-O-methyltransferase (COMT) methylation of estradiol.
Related CAS	362-07-2 (unlabelled)
Canonical SMILES	CC12CCC3C(C1CCC2O)CCC4=CC(=C(C=C34)OC)O
InChI	InChI=1S/C19H26O3/c1-19-8-7-12-13(15(19)5-6-18(19)21)4-3-11-9-16(20)17(22-2)10-14(11)12/h9-10,12-13,15,18,20-21H,3-8H2,1-2H3/t12-,13+,15-,18-,19-/m0/s1/i6D2,9D,10D,18D
InChI Key	CQOQDQWUFQDJMK-AGCGVRMISA-N
Purity	98% by CP; 98% atom D
Appearance	Solid