| SpectraBase Compound ID | GpXkGikXC54 |
|---|---|
| InChI | InChI=1S/C26H33F7O4Si/c1-23-11-10-15-16(7-6-14-12-20(37-38(3,4)5)19(35-2)13-17(14)15)18(23)8-9-21(23)36-22(34)24(27,28)25(29,30)26(31,32)33/h12-13,15-16,18,21H,6-11H2,1-5H3/t15-,16+,18-,21-,23-/m0/s1 |
| InChIKey | IYAZYUBXQIGZGF-VMWRJMRKSA-N |
| Mol Weight | 570.6 g/mol |
| Molecular Formula | C26H33F7O4Si |
| Exact Mass | 570.203633 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4RDvfW91QfC |
|---|---|
| Name | 3-TMS-17-HFB of E-2-methoxy-3,17.beta.-diol |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C26H33F7O4Si |
| InChI | InChI=1S/C26H33F7O4Si/c1-23-11-10-15-16(7-6-14-12-20(37-38(3,4)5)19(35-2)13-17(14)15)18(23)8-9-21(23)36-22(34)24(27,28)25(29,30)26(31,32)33/h12-13,15-16,18,21H,6-11H2,1-5H3/t15-,16+,18-,21-,23-/m0/s1 |
| InChIKey | IYAZYUBXQIGZGF-VMWRJMRKSA-N |
| Molecular Weight | 570.620 g/mol |
| SMILES | C(C(C(O[C@@]1([C@@]2([C@@]([C@@]3(CCc4c([C@]3(CC2)[H])cc(c(O[Si](C)(C)C)c4)OC)[H])([H])CC1)C)[H])=O)(F)F)(C(F)(F)F)(F)F |
| SPLASH | splash10-00di-0000090000-06b5cd79f95406493b3f |
| Source of Spectrum | KO-18-315-0 |
| Synonyms | (17beta)-2-methoxy-3-[(trimethylsilyl)oxy]estra-1,3,5(10)-trien-17-yl 2,2,3,3,4,4,4-heptafluorobutanoate 2-Methoxy-3-trimethylsilyloxy-17.beta.-heptafluorobutanoyl-1,3,5(10)-estratriene 2,2,3,3,4,4,4-heptafluorobutanoic acid [(8R,9S,13S,14S,17S)-2-methoxy-13-methyl-3-trimethylsilyloxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] ester [(8R,9S,13S,14S,17S)-2-methoxy-13-methyl-3-trimethylsilyloxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] 2,2,3,3,4,4,4-heptafluorobutanoate [(8R,9S,13S,14S,17S)-2-methoxy-13-methyl-3-trimethylsilyloxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] 2,2,3,3,4,4,4-heptakis(fluoranyl)butanoate |
| Wiley ID | 1407675 |