| SpectraBase Spectrum ID |
5RTPkXrYHpF |
| Name |
17-Bromo-3-methoxy-16-{(E)-2-[p-(o-fluorophenyl)benzoyl]ethenyl}estra-1,3,5(10),16-tetraene |
| Alternate Name(s) |
(2E)-3-[17-bromo-3-methoxyestra-1,3,5(10),16-tetraen-16-yl]-1-(2'-fluoro[1,1'-biphenyl]-4-yl)-2-propen-1-one |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C34H32BrFO2 |
| InChI |
InChI=1S/C34H32BrFO2/c1-34-18-17-28-26-15-13-25(38-2)19-23(26)11-14-29(28)30(34)20-24(33(34)35)12-16-32(37)22-9-7-21(8-10-22)27-5-3-4-6-31(27)36/h3-10,12-13,15-16,19,28-30H,11,14,17-18,20H2,1-2H3/b16-12+/t28-,29-,30+,34+/m1/s1 |
| InChIKey |
KLZOQKHHCDKWHE-OFXBZYDVSA-N |
| Molecular Weight |
571.530 g/mol |
| SMILES |
c1(ccc2c(c1)CC[C@]1([C@@]3(CC(=C([C@@]3(C)CC[C@]21[H])Br)\C=C\C(c1ccc(cc1)-c1c(cccc1)F)=O)[H])[H])OC |
| SPLASH |
splash10-00di-0000090000-fe0e438ce307bf8475b9 |
| Source of Spectrum |
K-2002-2109-13 |
| Wiley ID |
1613061 |
![17-Bromo-3-methoxy-16-{(E)-2-[p-(o-fluorophenyl)benzoyl]ethenyl}estra-1,3,5(10),16-tetraene](/api/spectrum/5RTPkXrYHpF/structure.png?h=300&w=458 "17-Bromo-3-methoxy-16-{(E)-2-[p-(o-fluorophenyl)benzoyl]ethenyl}estra-1,3,5(10),16-tetraene")
