| SpectraBase Compound ID | AcRNZPxcmPh |
|---|---|
| InChI | InChI=1S/C22H22F6O4/c1-20-9-8-14-13-5-3-12(31-18(29)21(23,24)25)10-11(13)2-4-15(14)16(20)6-7-17(20)32-19(30)22(26,27)28/h3,5,10,14-17H,2,4,6-9H2,1H3 |
| InChIKey | GBPADILCVOCPSX-UHFFFAOYSA-N |
| Mol Weight | 464.4 g/mol |
| Molecular Formula | C22H22F6O4 |
| Exact Mass | 464.142228 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2ldqP29IjUA |
|---|---|
| Name | Estradiol, bis(trifluoroacetate) |
| Alternate Name(s) | 17-[(2,2,2-Trifluoroacetyl)oxy]estra-1,3,5(10)-trien-3-yl trifluoroacetate Estra-1,3,5(10)-triene-3,17-diol (17.beta.)-, bis(trifluoroacetate) 2,2,2-trifluoroacetic acid [13-methyl-3-(2,2,2-trifluoro-1-oxoethoxy)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] ester [13-methyl-3-(2,2,2-trifluoroacetyl)oxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] 2,2,2-trifluoroacetate [13-methyl-3-[2,2,2-tris(fluoranyl)ethanoyloxy]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] 2,2,2-tris(fluoranyl)ethanoate |
| CAS Registry Number | 1549-15-1 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H22F6O4 |
| InChI | InChI=1S/C22H22F6O4/c1-20-9-8-14-13-5-3-12(31-18(29)21(23,24)25)10-11(13)2-4-15(14)16(20)6-7-17(20)32-19(30)22(26,27)28/h3,5,10,14-17H,2,4,6-9H2,1H3 |
| InChIKey | GBPADILCVOCPSX-UHFFFAOYSA-N |
| Molecular Weight | 464.404 g/mol |
| SMILES | CC12CCC3c4ccc(cc4CCC3C2CCC1OC(C(F)(F)F)=O)OC(C(F)(F)F)=O |
| SPLASH | splash10-0aor-8984000000-2c8f0c0a0e57f1ec8edf |
| Source of Spectrum | SD-1981-0-0 |
| Wiley ID | 1391414 |