| SpectraBase Spectrum ID |
5haGgkVV97m |
| Name |
7.alpha.-Methyl-3,16.alpha.-bis[[(trifluoromethyl)sulfonyl]oxy]-3,5(6)-estradien-17-one |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H24F6O7S2 |
| InChI |
InChI=1S/C21H24F6O7S2/c1-10-7-11-8-12(33-35(29,30)20(22,23)24)3-4-13(11)14-5-6-19(2)15(17(10)14)9-16(18(19)28)34-36(31,32)21(25,26)27/h7-8,10,13-17H,3-6,9H2,1-2H3/t10-,13+,14-,15+,16-,17-,19+/m1/s1 |
| InChIKey |
XDNBFAIKVJVWTL-CKDDSQOYSA-N |
| Molecular Weight |
566.526 g/mol |
| SMILES |
C(S(O[C@]1(C([C@]2(CC[C@]3([C@]([C@@]2(C1)[H])([C@@](C=C1C=C(OS(C(F)(F)F)(=O)=O)CC[C@]31[H])(C)[H])[H])[H])C)=O)[H])(=O)=O)(F)(F)F |
| SPLASH |
splash10-066r-7940010000-57b09759f2dc2525cde3 |
| Source of Spectrum |
E1-35-2126-37 |
| Synonyms |
(7alpha,16alpha)-7-methyl-17-oxo-3-{[(trifluoromethyl)sulfonyl]oxy}estra-3,5-dien-16-yl trifluoromethanesulfonate |
| Wiley ID |
1574347 |
![7.alpha.-Methyl-3,16.alpha.-bis[[(trifluoromethyl)sulfonyl]oxy]-3,5(6)-estradien-17-one](/api/spectrum/5haGgkVV97m/structure.png?h=300&w=458 "7.alpha.-Methyl-3,16.alpha.-bis[[(trifluoromethyl)sulfonyl]oxy]-3,5(6)-estradien-17-one")
