| SpectraBase Spectrum ID |
B3x8iaRmVqP |
| Name |
16.alpha.Fluoro-7.alpha.-{9-[(4,4,5,5,5-Pentafluoropentyl)sulfonyl]nonyl}estra-1,3,5(10)-triene-3,17.beta.-diol |
| Alternate Name(s) |
(7alpha,16alpha,17beta)-16-fluoro-7-{9-[(4,4,5,5,5-pentafluoropentyl)sulfonyl]nonyl}estra-1,3,5(10)-triene-3,17-diol |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C32H46F6O4S |
| InChI |
InChI=1S/C32H46F6O4S/c1-30-15-13-25-24-12-11-23(39)19-22(24)18-21(28(25)26(30)20-27(33)29(30)40)10-7-5-3-2-4-6-8-16-43(41,42)17-9-14-31(34,35)32(36,37)38/h11-12,19,21,25-29,39-40H,2-10,13-18,20H2,1H3/t21-,25-,26+,27-,28-,29+,30+/m1/s1 |
| InChIKey |
GRCGPZXRAFPTKD-BMCNJFQASA-N |
| Molecular Weight |
640.766 g/mol |
| SMILES |
Oc1ccc2c(C[C@]([C@]3([C@]4([C@@]([C@]([C@@](C4)(F)[H])(O)[H])(CC[C@]23[H])C)[H])[H])(CCCCCCCCCS(=O)(=O)CCCC(C(F)(F)F)(F)F)[H])c1 |
| SPLASH |
splash10-0006-0010009000-1cc7ae01e02d9e278461 |
| Source of Spectrum |
K-2002-2280-18 |
| Wiley ID |
1613173 |
![16.alpha.Fluoro-7.alpha.-{9-[(4,4,5,5,5-Pentafluoropentyl)sulfonyl]nonyl}estra-1,3,5(10)-triene-3,17.beta.-diol](/api/spectrum/B3x8iaRmVqP/structure.png?h=300&w=458 "16.alpha.Fluoro-7.alpha.-{9-[(4,4,5,5,5-Pentafluoropentyl)sulfonyl]nonyl}estra-1,3,5(10)-triene-3,17.beta.-diol")
