| SpectraBase Compound ID | 1QWDxHNSQd |
|---|---|
| InChI | InChI=1S/C21H26FO2.3C4H9.Sn/c1-4-21(24)10-8-16-18-12(2)11-15-13(5-6-17(23)19(15)22)14(18)7-9-20(16,21)3;3*1-3-4-2;/h1,4-6,12,14,16,18,23-24H,7-11H2,2-3H3;3*1,3-4H2,2H3;/t12-,14?,16?,18?,20+,21+;;;;/m1..../s1 |
| InChIKey | CDSFTHQGXAIEBO-MAKCXOPYSA-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 | LPaXjtJ4FI5 |
|---|---|
| Name | 4-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)10-8-16-18-12(2)11-15-13(5-6-17(23)19(15)22)14(18)7-9-20(16,21)3;3*1-3-4-2;/h1,4-6,12,14,16,18,23-24H,7-11H2,2-3H3;3*1,3-4H2,2H3;/t12-,14?,16?,18?,20+,21+;;;;/m1..../s1 |
| InChIKey | CDSFTHQGXAIEBO-MAKCXOPYSA-N |
| Molecular Weight | 619.494 g/mol |
| SMILES | O[C@]1(CCC2[C@@]1(CCC1c3c(c(c(cc3)O)F)C[C@](C21)(C)[H])C)\C=C\[Sn](CCCC)(CCCC)CCCC |
| SPLASH | splash10-03di-0021090000-5bf4f8c77bb9e2831724 |
| Source of Spectrum | E1-36-3070-10 |
| Synonyms | 4-Fluoro-7-.alpha.-methyl-(17.alpha.,20Z)-21-(tri-n-butylstannyl)vinylestradiol |
| Wiley ID | 1574751 |