Estradiol benzoate-d3（Cat No.:S000859） is a deuterated form of estradiol benzoate, where three hydrogen atoms are replaced with deuterium, resulting in the molecular formula C25H25D3O3. This stable isotope-labeled compound is widely used in mass spectrometry and nuclear magnetic resonance (NMR) spectroscopy to investigate the pharmacokinetics and metabolic pathways of estrogen therapies. It aids in enhancing the accuracy and sensitivity of analytical detection in biomedical research. Estradiol benzoate-d3 is crucial in studies focusing on hormone replacement therapy and the effects of estrogens on various physiological and pathological conditions, particularly in reproductive health.
| Catalog Number | S000859 |
| CAS Number | 1192354-74-7 |
| Molecular Formula | C25H25D3O3 |
| Purity | ≥95% |
| IUPAC Name | [(8R,9S,13S,14S,17S)-16,16,17-trideuterio-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-3-yl] benzoate |
| InChI | InChI=1S/C25H28O3/c1-25-14-13-20-19-10-8-18(28-24(27)16-5-3-2-4-6-16)15-17(19)7-9-21(20)22(25)11-12-23(25)26/h2-6,8,10,15,20-23,26H,7,9,11-14H2,1H3/t20-,21-,22+,23+,25+/m1/s1/i12D2,23D |
| InChIKey | UYIFTLBWAOGQBI-VTAKYRPZSA-N |
| SMILES | CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4)OC(=O)C5=CC=CC=C5 |
