| SpectraBase Spectrum ID |
D3poQUpg3IZ |
| Name |
Estra-1,3,5(10),6-tetraene-3,17-diol, 17-acetate 3-(trifluoroacetate), (17.beta.)- |
| CAS Registry Number |
56588-11-5 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H23F3O4 |
| InChI |
InChI=1S/C22H23F3O4/c1-12(26)28-19-8-7-18-17-5-3-13-11-14(29-20(27)22(23,24)25)4-6-15(13)16(17)9-10-21(18,19)2/h3-6,11,16-19H,7-10H2,1-2H3/t16-,17-,18+,19+,21+/m1/s1 |
| InChIKey |
OQTZYDLIXRNBFP-AGRFSFNASA-N |
| Molecular Weight |
408.417 g/mol |
| SMILES |
[C@@]12([C@]([C@@]3(C=Cc4c([C@]3(CC2)[H])ccc(OC(C(F)(F)F)=O)c4)[H])(CC[C@@]1(OC(=O)C)[H])[H])C |
| SPLASH |
splash10-00mx-9320000000-cea109445700ea337aec |
| Source of Spectrum |
SD-1981-0-0 |
| Synonyms |
(17beta)-17-(acetyloxy)estra-1,3,5(10),6-tetraen-3-yl trifluoroacetate |
| Wiley ID |
1372925 |
