SpectraBase Compound ID | Kqdd8VQV77B |
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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 |
SpectraBase Spectrum ID | HpeqHPY7U51 |
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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-0009330000-cfc38ff41930aa16be10 |
Source of Spectrum | E1-36-3070-7 |
Wiley ID | 1574752 |