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2-Methoxy-[13C,d3]-estrone

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General Information
Catalog: BLP-005698
CAS: 1217460-84-8
Molecular Formula: [13C]C18H21D3O3
Molecular Weight: 304.40

Chemical Structure

Description	2-Methoxy-[13C,d3]-estrone is intended for use as an internal standard for 2-Methoxy Estrone. 2-Methoxy Estrone is an endogenous estrogen metabolite. 2-Methoxyestrone detection can be used as a breast cancer biomarker and help assess the risk-factors for development of breast cancer.
Synonyms	2,3-Dihydroxy-1,3,5(10)-estratrien-17-one-2-methyl-13C,d3-ether
IUPAC Name	(8R,9S,13S,14S)-3-hydroxy-13-methyl-2-(trideuterio(1-13C)methoxy)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
Related CAS	362-08-3 (unlabelled)
Canonical SMILES	CC12CCC3C(C1CCC2=O)CCC4=CC(=C(C=C34)OC)O
InChI	InChI=1S/C19H24O3/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/h9-10,12-13,15,20H,3-8H2,1-2H3/t12-,13+,15-,19-/m0/s1/i2+1D3
InChI Key	WHEUWNKSCXYKBU-KXBYASRSSA-N
Purity	98% by CP; ≥98% atom 13C; ≥98% atom D
Appearance	White to Off-white Solid
Storage	Store at -20°C