![3-[[(Trifluoromethyl)sulonyl]oxy]estra-1,3,5(10)-trien-17-one](/api/spectrum/8xnxbvVL1pg/structure.png?h=300&w=458 "3-[[(Trifluoromethyl)sulonyl]oxy]estra-1,3,5(10)-trien-17-one")
| SpectraBase Compound ID | 9VO4zDDVHYa |
|---|---|
| InChI | InChI=1S/C19H21F3O4S/c1-18-9-8-14-13-5-3-12(26-27(24,25)19(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)23/h3,5,10,14-16H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1 |
| InChIKey | PPMJOXGHOQFVEM-CBZIJGRNSA-N |
| Mol Weight | 402.43 g/mol |
| Molecular Formula | C19H21F3O4S |
| Exact Mass | 402.111265 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8xnxbvVL1pg |
|---|---|
| Name | 3-[[(Trifluoromethyl)sulonyl]oxy]estra-1,3,5(10)-trien-17-one |
| Alternate Name(s) | 17-oxoestra-1,3,5(10)-trien-3-yl trifluoromethanesulfonate Trifluoromethanesulfonic acid [(8R,9S,13S,14S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] ester [(8R,9S,13S,14S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] trifluoromethanesulfonate [(8R,9S,13S,14S)-13-methyl-17-oxidanylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] tris(fluoranyl)methanesulfonate |
| CAS Registry Number | 92817-04-4 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C19H21F3O4S |
| InChI | InChI=1S/C19H21F3O4S/c1-18-9-8-14-13-5-3-12(26-27(24,25)19(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)23/h3,5,10,14-16H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1 |
| InChIKey | PPMJOXGHOQFVEM-CBZIJGRNSA-N |
| Molecular Weight | 402.428 g/mol |
| SMILES | C(S(Oc1cc2CC[C@]3([C@@]4(CCC([C@]4(CC[C@@]3(c2cc1)[H])C)=O)[H])[H])(=O)=O)(F)(F)F |
| SPLASH | splash10-0udi-0085900000-e75e275b057dca2de002 |
| Source of Spectrum | J-49-4903-0 |
| Wiley ID | 1370229 |