| SpectraBase Compound ID | Da0g7oXsol1 |
|---|---|
| InChI | InChI=1S/C20H24FIO2/c1-19-6-4-13-14(16(19)5-7-20(19,24)8-9-22)3-2-12-10-18(23)17(21)11-15(12)13/h8-11,13-14,16,23-24H,2-7H2,1H3/b9-8+/t13?,14?,16?,19-,20+/m0/s1 |
| InChIKey | HLVDBXRUIZJDOP-DLDZAVLDSA-N |
| Mol Weight | 442.31 g/mol |
| Molecular Formula | C20H24FIO2 |
| Exact Mass | 442.080503 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3uG5tDsFgKB |
|---|---|
| Name | 2-Fluoro-(17.alpha.,20E)iodovinyl-1(10),2,4-trien-estra-3,17-diol |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H24FIO2 |
| InChI | InChI=1S/C20H24FIO2/c1-19-6-4-13-14(16(19)5-7-20(19,24)8-9-22)3-2-12-10-18(23)17(21)11-15(12)13/h8-11,13-14,16,23-24H,2-7H2,1H3/b9-8+/t13?,14?,16?,19-,20+/m0/s1 |
| InChIKey | HLVDBXRUIZJDOP-DLDZAVLDSA-N |
| Molecular Weight | 442.313 g/mol |
| SMILES | Oc1c(cc2c(CCC3C4[C@@]([C@@](CC4)(\C=C\I)O)(CCC23)C)c1)F |
| SPLASH | splash10-0ufr-0900000000-6edb8b64cd6c235f274d |
| Source of Spectrum | E1-36-3064-8 |
| Synonyms | (13S,17R)-2-fluoranyl-17-[(E)-2-iodanylethenyl]-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol (13S,17R)-2-fluoro-17-[(E)-2-iodoethenyl]-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol (13S,17R)-2-fluoro-17-[(E)-2-iodovinyl]-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol (17beta)-2-fluoro-17-[(E)-2-iodoethenyl]estra-1(10),2,4-triene-3,17-diol 2-Fluoro-(17.alpha.,20E)iodovinylestra-3,17-diol |
| Wiley ID | 1574777 |