![Androst-5-en-16-one, 3,17-bis[(trifluoroacetyl)oxy]-, (3.beta.,17.beta.)-](/api/spectrum/RFyep2HP19/structure.png?h=300&w=458 "Androst-5-en-16-one, 3,17-bis[(trifluoroacetyl)oxy]-, (3.beta.,17.beta.)-")
| SpectraBase Compound ID | GVrZOqCK0ow |
|---|---|
| InChI | InChI=1S/C23H26F6O5/c1-20-7-5-12(33-18(31)22(24,25)26)9-11(20)3-4-13-14(20)6-8-21(2)15(13)10-16(30)17(21)34-19(32)23(27,28)29/h3,12-15,17H,4-10H2,1-2H3 |
| InChIKey | CTNWZUBGEFFWGH-UHFFFAOYSA-N |
| Mol Weight | 496.45 g/mol |
| Molecular Formula | C23H26F6O5 |
| Exact Mass | 496.168443 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | RFyep2HP19 |
|---|---|
| Name | Androst-5-en-16-one, 3,17-bis[(trifluoroacetyl)oxy]-, (3.beta.,17.beta.)- |
| CAS Registry Number | 56438-14-3 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C23H26F6O5 |
| InChI | InChI=1S/C23H26F6O5/c1-20-7-5-12(33-18(31)22(24,25)26)9-11(20)3-4-13-14(20)6-8-21(2)15(13)10-16(30)17(21)34-19(32)23(27,28)29/h3,12-15,17H,4-10H2,1-2H3 |
| InChIKey | CTNWZUBGEFFWGH-UHFFFAOYSA-N |
| Molecular Weight | 496.446 g/mol |
| SMILES | CC12C(C3C(CC2)C2(C)C(=CC3)CC(CC2)OC(C(F)(F)F)=O)CC(C1OC(C(F)(F)F)=O)=O |
| SPLASH | splash10-053u-8924000000-4ea20942ec66c7f48a46 |
| Source of Spectrum | SD-1981-0-0 |
| Synonyms | 16-Oxo-17-[(trifluoroacetyl)oxy]androst-5-en-3-yl trifluoroacetate 2,2,2-trifluoroacetic acid [10,13-dimethyl-16-oxo-17-(2,2,2-trifluoro-1-oxoethoxy)-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthren-3-yl] ester [10,13-dimethyl-16-oxo-17-(2,2,2-trifluoroacetyl)oxy-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthren-3-yl] 2,2,2-trifluoroacetate [10,13-dimethyl-16-oxidanylidene-17-[2,2,2-tris(fluoranyl)ethanoyloxy]-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthren-3-yl] 2,2,2-tris(fluoranyl)ethanoate |
| Wiley ID | 1398176 |