7-ALPHA-PERFLUOROHEXYLESTRADIOL-DIACETATE
Compound with spectra: 2 NMR
| SpectraBase Compound ID | L8e2EJcUi1C |
|---|---|
| InChI | InChI=1S/C28H27F13O4/c1-12(42)44-15-4-5-16-14(10-15)11-19(21-17(16)8-9-22(3)18(21)6-7-20(22)45-13(2)43)23(29,30)24(31,32)25(33,34)26(35,36)27(37,38)28(39,40)41/h4-5,10,17-21H,6-9,11H2,1-3H3/t17-,18+,19-,20+,21-,22+/m1/s1 |
| InChIKey | ABGYCTXUFBXJOF-VTJFTLGMSA-N |
| Mol Weight | 674.5 g/mol |
| Molecular Formula | C28H27F13O4 |
| Exact Mass | 674.170175 g/mol |
| Enantiomer InChIKey | ABGYCTXUFBXJOF-VTJKKSGASA-N |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Title | Journal or Book | Year |
|---|---|---|
| Synthesis, Characterization and Biological Evaluation of 7α-Perfluoroalkylestradiol Derivatives | Bioorganic & Medicinal Chemistry | 2003 |
This compound is available in the following databases:
KnowItAll NMR Spectral Library
Author: Wiley
The KnowItAll NMR Spectral Library offers a comprehensive collection of NMR reference spectra, including NMR, CNMR, and XNMR, and covers a wide range of compounds including organics, polymers, monomers, metabolites, and more. Learn more.