| SpectraBase Compound ID | CyUmFmUK7Ds |
|---|---|
| InChI | InChI=1S/C20H24FO2.3C4H9.Sn/c1-3-20(23)9-7-16-14-5-4-12-10-18(22)17(21)11-15(12)13(14)6-8-19(16,20)2;3*1-3-4-2;/h1,3,10-11,13-14,16,22-23H,4-9H2,2H3;3*1,3-4H2,2H3;/t13?,14?,16?,19-,20-;;;;/m0..../s1 |
| InChIKey | QYYYOWCZHIMJFW-LDRUKTAWSA-N |
| Mol Weight | 605.5 g/mol |
| Molecular Formula | C32H51FO2Sn |
| Exact Mass | 606.289511 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IIhDYEj13hb |
|---|---|
| Name | 2-Fluoro-(17.alpha.,20E)-21-(tri-N-butylstannyl)vinylestradiol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 606.289511043 u |
| Formula | C32H51FO2Sn |
| InChI | InChI=1S/C20H24FO2.3C4H9.Sn/c1-3-20(23)9-7-16-14-5-4-12-10-18(22)17(21)11-15(12)13(14)6-8-19(16,20)2;3*1-3-4-2;/h1,3,10-11,13-14,16,22-23H,4-9H2,2H3;3*1,3-4H2,2H3;/t13?,14?,16?,19-,20-;;;;/m0..../s1 |
| InChIKey | QYYYOWCZHIMJFW-LDRUKTAWSA-N |
| Molecular Weight | 605.467 g/mol |
| SMILES | [C@@]12(C(C3CCC=4C(C3CC2)=CC(=C(O)C4)F)CC[C@]1(\C=C/[Sn](CCCC)(CCCC)CCCC)O)C |