| SpectraBase Compound ID | Lg7xdWIOehU |
|---|---|
| InChI | InChI=1S/C23H24F6O4/c1-11-9-13(32-19(30)22(24,25)26)10-12-3-4-14-15(18(11)12)7-8-21(2)16(14)5-6-17(21)33-20(31)23(27,28)29/h9-10,14-17H,3-8H2,1-2H3 |
| InChIKey | GAYJBZPKPQDMJU-UHFFFAOYSA-N |
| Mol Weight | 478.43 g/mol |
| Molecular Formula | C23H24F6O4 |
| Exact Mass | 478.157878 g/mol |
Mass Spectrum (GC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | L66VgsmErCk |
|---|---|
| Name | Estra-1,3,5(10)-triene-3,17-diol, 1-methyl-, bis(trifluoroacetate), (17.beta.)- |
| CAS Registry Number | 56438-18-7 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C23H24F6O4 |
| InChI | InChI=1S/C23H24F6O4/c1-11-9-13(32-19(30)22(24,25)26)10-12-3-4-14-15(18(11)12)7-8-21(2)16(14)5-6-17(21)33-20(31)23(27,28)29/h9-10,14-17H,3-8H2,1-2H3 |
| InChIKey | GAYJBZPKPQDMJU-UHFFFAOYSA-N |
| Molecular Weight | 478.431 g/mol |
| SMILES | Cc1cc(cc2CCC3C(CCC4(C)C3CCC4OC(C(F)(F)F)=O)c12)OC(C(F)(F)F)=O |
| SPLASH | splash10-00or-5952100000-215be93dbe62b388bee5 |
| Source of Spectrum | W5-0-0-0 |
| Synonyms | 1-Methyl-17-[(trifluoroacetyl)oxy]estra-1,3,5(10)-trien-3-yl trifluoroacetate 2,2,2-trifluoroacetic acid [1,13-dimethyl-3-(2,2,2-trifluoro-1-oxoethoxy)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] ester [1,13-dimethyl-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 [1,13-dimethyl-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 |
| Wiley ID | 1394673 |