| SpectraBase Compound ID | 7nNnIOkEB87 |
|---|---|
| InChI | InChI=1S/C23H24F6O5/c1-21-10-16(33-19(30)22(24,25)26)18-13-6-4-12(32-2)9-11(13)3-5-14(18)15(21)7-8-17(21)34-20(31)23(27,28)29/h4,6,9,14-18H,3,5,7-8,10H2,1-2H3 |
| InChIKey | CXGFADQQFDDWOA-UHFFFAOYSA-N |
| Mol Weight | 494.43 g/mol |
| Molecular Formula | C23H24F6O5 |
| Exact Mass | 494.152793 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | HumjqA94koT |
|---|---|
| Name | Estra-1,3,5(10)-triene-11,17-diol, 3-methoxy-, bis(trifluoroacetate), (11.alpha.,17.beta.)- |
| CAS Registry Number | 56588-10-4 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C23H24F6O5 |
| InChI | InChI=1S/C23H24F6O5/c1-21-10-16(33-19(30)22(24,25)26)18-13-6-4-12(32-2)9-11(13)3-5-14(18)15(21)7-8-17(21)34-20(31)23(27,28)29/h4,6,9,14-18H,3,5,7-8,10H2,1-2H3 |
| InChIKey | CXGFADQQFDDWOA-UHFFFAOYSA-N |
| Molecular Weight | 494.430 g/mol |
| SMILES | CC12CC(C3c4ccc(cc4CCC3C1CCC2OC(C(F)(F)F)=O)OC)OC(C(F)(F)F)=O |
| SPLASH | splash10-001i-5945000000-3a46701d146563a3073b |
| Source of Spectrum | SD-1981-0-0 |
| Synonyms | 3-Methoxy-11-[(trifluoroacetyl)oxy]estra-1,3,5(10)-trien-17-yl trifluoroacetate 2,2,2-trifluoroacetic acid [3-methoxy-13-methyl-11-(2,2,2-trifluoro-1-oxoethoxy)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] ester [3-methoxy-13-methyl-11-(2,2,2-trifluoroacetyl)oxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] 2,2,2-trifluoroacetate [3-methoxy-13-methyl-11-[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 | 1397835 |