| SpectraBase Spectrum ID |
AYmmC1WJKMN |
| Name |
19-Norpregna-1,3,5(10)-trien-20-yne-3,17-diol, 18,18,18-trifluoro-, (17.alpha.)-(.+-.)- |
| Alternate Name(s) |
(+)-17.alpha.-ethynyl-18,18,18-trifluoro-17.beta.-estradiol
(+-)-17.alpha.-Ethynyl-18,18,18-trifluoro-17.beta.-estradiol
(17beta)-17-ethynyl-18,18,18-trifluoroestra-1,3,5(10)-triene-3,17-diol |
| CAS Registry Number |
105547-49-7 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H21F3O2 |
| InChI |
InChI=1S/C20H21F3O2/c1-2-18(25)9-8-17-16-5-3-12-11-13(24)4-6-14(12)15(16)7-10-19(17,18)20(21,22)23/h1,4,6,11,15-17,24-25H,3,5,7-10H2/t15-,16-,17+,18+,19-/m1/s1 |
| InChIKey |
YOOYHNXXMZFIDP-ZSXDVEMLSA-N |
| Molecular Weight |
350.381 g/mol |
| SMILES |
Oc1ccc2c(CC[C@]3([C@]4([C@@]([C@@](CC4)(C#C)O)(CC[C@]23[H])C(F)(F)F)[H])[H])c1 |
| SPLASH |
splash10-0002-0904000000-9a736f03a20407cfabb5 |
| Source of Spectrum |
KC-1986-340-14 |
| Wiley ID |
1341982 |
