| SpectraBase Spectrum ID |
EY4rNvLsGxT |
| Name |
4-Fluoro-16.alpha.-bromoestra-1,3,5(10)-trien-3,17.alpha.-diol |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H22BrFO2 |
| InChI |
InChI=1S/C18H22BrFO2/c1-18-7-6-10-9-4-5-15(21)16(20)12(9)3-2-11(10)13(18)8-14(19)17(18)22/h4-5,10-11,13-14,17,21-22H,2-3,6-8H2,1H3/t10-,11-,13+,14-,17-,18+/m1/s1 |
| InChIKey |
OVJBNDOTRHPBHK-IQIBPPALSA-N |
| Molecular Weight |
369.274 g/mol |
| SMILES |
O[C@@]1([C@@](C[C@]2([C@@]3(CCc4c(ccc(c4F)O)[C@]3(CC[C@]12C)[H])[H])[H])(Br)[H])[H] |
| SPLASH |
splash10-01b9-0009000000-4aae0d2493e2d3a88962 |
| Source of Spectrum |
E1-36-4260-8 |
| Synonyms |
(16alpha,17alpha)-16-bromo-4-fluoroestra-1,3,5(10)-triene-3,17-diol |
| Wiley ID |
1574882 |
