| SpectraBase Compound ID | KPtd1fkSkoS |
|---|---|
| InChI | InChI=1S/C23H25F3O4/c1-12-10-15(30-21(28)23(24,25)26)11-14-4-5-16-17(20(12)14)8-9-22(3)18(16)6-7-19(22)29-13(2)27/h4-5,10-11,16-19H,6-9H2,1-3H3 |
| InChIKey | VHFYMSFYUYEPTH-UHFFFAOYSA-N |
| Mol Weight | 422.44 g/mol |
| Molecular Formula | C23H25F3O4 |
| Exact Mass | 422.170494 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | CTvHxPwsZ9T |
|---|---|
| Name | Estra-1,3,5(10),6-tetraene-3,17-diol, 1-methyl-, 17-acetate 3-(trifluoroacetate), (17.beta.)- |
| CAS Registry Number | 56588-08-0 |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C23H25F3O4 |
| InChI | InChI=1S/C23H25F3O4/c1-12-10-15(30-21(28)23(24,25)26)11-14-4-5-16-17(20(12)14)8-9-22(3)18(16)6-7-19(22)29-13(2)27/h4-5,10-11,16-19H,6-9H2,1-3H3 |
| InChIKey | VHFYMSFYUYEPTH-UHFFFAOYSA-N |
| Molecular Weight | 422.444 g/mol |
| SMILES | Cc1cc(cc2C=CC3C(CCC4(C)C3CCC4OC(C)=O)c12)OC(C(F)(F)F)=O |
| SPLASH | splash10-00kf-9763100000-d59ce35d8b7b861620b8 |
| Source of Spectrum | SD-1981-0-0 |
| Synonyms | 17-(Acetyloxy)-1-methylestra-1,3,5(10),6-tetraen-3-yl trifluoroacetate (17-acetoxy-1,13-dimethyl-8,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-3-yl) 2,2,2-trifluoroacetate (17-acetyloxy-1,13-dimethyl-8,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-3-yl) 2,2,2-trifluoroacetate (17-acetyloxy-1,13-dimethyl-8,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-3-yl) 2,2,2-tris(fluoranyl)ethanoate 2,2,2-trifluoroacetic acid (17-acetoxy-1,13-dimethyl-8,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-3-yl) ester 2,2,2-trifluoroacetic acid (17-acetyloxy-1,13-dimethyl-8,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-3-yl) ester |
| Wiley ID | 1378592 |