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4-Methoxyestrone-[13C,d3]

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Application Area

Metabolic Research

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Metabolic Research

Stable isotope labeling allows researchers to study metabolic pathways in vivo in a safe manner.

Environmental

Stable isotope-labeled compounds are used as environmental pollutant standards for the detection of air, water, soil, sediment and food.

4-Methoxyestrone-[13C,d3]

Name: 4-Methoxyestrone-[13C,d3]
Brand: BOC Sciences
Rating: 5 (1 reviews)

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General Information
Catalog: BLP-010956
CAS: 1217437-34-7
Molecular Formula: C18[13C]H21D3O3
Molecular Weight: 304.40

Chemical Structure

Synonyms	3,4-Dihydroxy-1,3,5(10)-estratrien-17-one 4-methyl-13C,d3 ether; 3-Hydroxy-4-methoxy-13C,d3-1,3,5(10)-estratrien-17-one; 4-Hydroxyestrone 4-methyl-13C,d3 ether; 4-Methoxy-13C,d3-estrone
IUPAC Name	(8R,9S,13S,14S)-3-hydroxy-13-methyl-4-(trideuterio(1-13C)methoxy)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
Related CAS	58562-33-7 (unlabelled)
Canonical SMILES	CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4OC)O
InChI	InChI=1S/C19H24O3/c1-19-10-9-12-11-5-7-16(20)18(22-2)14(11)4-3-13(12)15(19)6-8-17(19)21/h5,7,12-13,15,20H,3-4,6,8-10H2,1-2H3/t12-,13-,15+,19+/m1/s1/i2+1D3
InChI Key	PUEXVLNGOBYUEW-VWXYHFCISA-N
Purity	98% by CP; 98% atom 13C; 98% atom D
Appearance	White to Off-white Solid
Application	Labelled 4-Methoxyestrone (M226135). An endogenous estrogen metabolite, risk-factor for development of breast cancer
Storage	Store at -20°C