| SpectraBase Compound ID | IG6jQGgxqUD |
|---|---|
| InChI | InChI=1S/C23H24F6O5/c1-21-8-7-14-13-6-4-12(32-2)9-11(13)3-5-15(14)16(21)10-17(33-19(30)22(24,25)26)18(21)34-20(31)23(27,28)29/h4,6,9,14-18H,3,5,7-8,10H2,1-2H3 |
| InChIKey | BCUCRQSPRXXKQQ-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 | KcGCER34NlR |
|---|---|
| Name | Estra-1,3,5(10)-triene-16.alpha.,17.beta.-diol, 3-methoxy-, bis(trifluoroacetate) |
| CAS Registry Number | 34210-15-6 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C23H24F6O5 |
| InChI | InChI=1S/C23H24F6O5/c1-21-8-7-14-13-6-4-12(32-2)9-11(13)3-5-15(14)16(21)10-17(33-19(30)22(24,25)26)18(21)34-20(31)23(27,28)29/h4,6,9,14-18H,3,5,7-8,10H2,1-2H3 |
| InChIKey | BCUCRQSPRXXKQQ-UHFFFAOYSA-N |
| Molecular Weight | 494.430 g/mol |
| SMILES | CC12CCC3c4ccc(cc4CCC3C2CC(C1OC(C(F)(F)F)=O)OC(C(F)(F)F)=O)OC |
| SPLASH | splash10-0006-4920300000-8e7e9658674d6e6368ef |
| Source of Spectrum | SD-1981-0-0 |
| Synonyms | 3-Methoxy-16-[(trifluoroacetyl)oxy]estra-1(10),2,4-trien-17-yl trifluoroacetate 3-Methoxyestriol bis(trifluoroacetate) 2,2,2-trifluoroacetic acid [3-methoxy-13-methyl-17-(2,2,2-trifluoro-1-oxoethoxy)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-16-yl] ester [3-methoxy-13-methyl-17-(2,2,2-trifluoroacetyl)oxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-16-yl] 2,2,2-trifluoroacetate [3-methoxy-13-methyl-17-[2,2,2-tris(fluoranyl)ethanoyloxy]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-16-yl] 2,2,2-tris(fluoranyl)ethanoate |
| Wiley ID | 62766 |