| SpectraBase Compound ID | Kqdd8VQV77B |
|---|---|
| InChI | InChI=1S/C21H26FO2.3C4H9.Sn/c1-4-21(24)8-6-16-19-12(2)9-13-10-18(23)17(22)11-15(13)14(19)5-7-20(16,21)3;3*1-3-4-2;/h1,4,10-12,14,16,19,23-24H,5-9H2,2-3H3;3*1,3-4H2,2H3;/t12-,14?,16?,19?,20+,21+;;;;/m1..../s1 |
| InChIKey | OKNKUSFZRGFHRE-ONLZXTSQSA-N |
| Mol Weight | 619.5 g/mol |
| Molecular Formula | C33H53FO2Sn |
| Exact Mass | 620.305161 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | D3t8qsGs5Qw |
|---|---|
| Name | 2-Fluoro-7-.alpha.-methyl-(17.alpha.,20Z)-21-(tri-n-butylstannyl)vinylestradiol |
| Alternate Name(s) | 2-Fluoro-7-.alpha.-methyl-(17.alpha.,20E)-21-(tri-n-butylstannyl)vinylestradiol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C33H53FO2Sn |
| InChI | InChI=1S/C21H26FO2.3C4H9.Sn/c1-4-21(24)8-6-16-19-12(2)9-13-10-18(23)17(22)11-15(13)14(19)5-7-20(16,21)3;3*1-3-4-2;/h1,4,10-12,14,16,19,23-24H,5-9H2,2-3H3;3*1,3-4H2,2H3;/t12-,14?,16?,19?,20+,21+;;;;/m1..../s1 |
| InChIKey | OKNKUSFZRGFHRE-ONLZXTSQSA-N |
| Molecular Weight | 619.494 g/mol |
| SMILES | Oc1c(cc2c(C[C@](C3C4[C@@]([C@@](CC4)(\C=C\[Sn](CCCC)(CCCC)CCCC)O)(CCC23)C)(C)[H])c1)F |
| SPLASH | splash10-03di-0001090000-28108c52406cd5b2e009 |
| Source of Spectrum | E1-36-3070-6 |
| Wiley ID | 1574753 |