4-Methoxy Estrone-13C,d3

• CAT Number: R047939
• CAS Number: 1217437-34-7
• Molecular Formula: C19H24O3
• Molecular Weight: 304.409
• Purity: ≥95%
• Synonyms: 3-Hydroxy-4-methoxyestra-1,3,5(10)-trien-17-one-13C,d3
• Storage: -20°C
• IUPAC Name: (8R,9S,13S,14S)-3-hydroxy-13-methyl-4-(trideuteriomethoxy)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
• 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
• InChIKey: PUEXVLNGOBYUEW-VWXYHFCISA-N
• SMILES: [2H][13C]([2H])([2H])OC1=C(C=CC2=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)O

4-Methoxy Estrone-13C,d3 is a precisely labeled analogue of the naturally occurring hormone estrone, modified with both a carbon-13 (13C) and three deuterium (d3) isotopes. This enhancement not only increases its analytical utility in mass spectrometry and nuclear magnetic resonance (NMR) studies but also ensures a higher degree of accuracy in metabolic and environmental fate studies. The incorporation of 13C and d3 makes it invaluable for tracing the metabolic pathways and binding interactions of estrogens in biological systems. Ideal for research in endocrinology and environmental sciences, 4-Methoxy Estrone-13C,d3 provides a robust tool for detailed pharmacokinetic and toxicokinetic studies.