Estrone-d2（Cat No.:S000862）is a deuterated form of estrone, where two hydrogen atoms at the first carbon position are replaced with deuterium, leading to the molecular formula C18H20D2O2. This labeled compound is extensively used in nuclear magnetic resonance (NMR) spectroscopy and mass spectrometry for advanced research in hormone metabolism. Estrone-d2-1 serves as an internal standard that enhances the precision of quantitative analyses, facilitating deeper insights into estrogen’s role in various biological processes and health conditions. It is particularly important in studying hormone-related diseases, including various forms of cancer and metabolic disorders.
| Catalog Number | S000862 |
| CAS Number | 56588-58-0 |
| Molecular Formula | C18H20D2O2 |
| Purity | ≥95% |
| IUPAC Name | (8R,9S,13S,14S)-16,16-dideuterio-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-one |
| InChI | InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1/i7D2 |
| InChIKey | DNXHEGUUPJUMQT-XIMAIENTSA-N |
| SMILES | [2H]C1(C[C@H]2[C@@H]3CCC4=C([C@H]3CC[C@@]2(C1=O)C)C=CC(=C4)O)[2H] |
