17-Iodo-3-O-methyl Estratetraenol-d5

• CAT Number: R048754
• CAS Number: NA
• Molecular Formula: C₁₉H₁₈D₅IO
• Molecular Weight: 399.32
• Purity: ≥95%
• Synonyms: 17-Iodo-3-methoxy-estra-1,3,5(10),16-tetraene-d5
• Storage: 3 years -20C powder
• IUPAC Name: (8R,9S,13S,14S)-6,6,7,7,9-pentadeuterio-17-iodo-3-methoxy-13-methyl-11,12,14,15-tetrahydro-8H-cyclopenta[a]phenanthrene
• InChI: InChI=1S/C19H23IO/c1-19-10-9-15-14-6-4-13(21-2)11-12(14)3-5-16(15)17(19)7-8-18(19)20/h4,6,8,11,15-17H,3,5,7,9-10H2,1-2H3/t15-,16-,17+,19+/m1/s1/i3D2,5D2,15D
• InChIKey: UPLFZZINEVIMGH-AMWPYYJUSA-N
• SMILES: [2H][C@]12CC[C@]3([C@H]([C@@H]1C(C(C4=C2C=CC(=C4)OC)([2H])[2H])([2H])[2H])CC=C3I)C

17-Iodo-3-O-methyl Estratetraenol-d5 is a deuterated derivative of 17-iodo-3-O-methyl estratetraenol, a synthetic estrogen analog. In this compound, five hydrogen atoms are replaced with deuterium. It is utilized as an internal standard in mass spectrometry and NMR spectroscopy to enhance the precision of quantification and structural analysis of steroidal compounds. In pharmaceutical chemistry, it supports research on hormone receptor interactions and estrogenic activity. Its deuterium labeling is crucial for accurate measurement in studies related to endocrinology and drug development, ensuring high reliability in analytical and research applications.