| SpectraBase Compound ID | IjpeTvlzpdB |
|---|---|
| InChI | InChI=1S/C20H24FIO2/c1-19-8-6-13-12-4-5-17(23)18(21)15(12)3-2-14(13)16(19)7-9-20(19,24)10-11-22/h4-5,10-11,13-14,16,23-24H,2-3,6-9H2,1H3/b11-10+/t13-,14-,16+,19+,20-/m1/s1 |
| InChIKey | QUVCCEPCXNTKAQ-GHUYQSKLSA-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 | 2v3O0tulmKH |
|---|---|
| Name | 1(10),2,4-triene-4-Fluoro-(17.alpha.,E) 17-(2-iodovinyl)estra-3,17-diol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H24FIO2 |
| InChI | InChI=1S/C20H24FIO2/c1-19-8-6-13-12-4-5-17(23)18(21)15(12)3-2-14(13)16(19)7-9-20(19,24)10-11-22/h4-5,10-11,13-14,16,23-24H,2-3,6-9H2,1H3/b11-10+/t13-,14-,16+,19+,20-/m1/s1 |
| InChIKey | QUVCCEPCXNTKAQ-GHUYQSKLSA-N |
| Molecular Weight | 442.313 g/mol |
| SMILES | Oc1ccc2c(CC[C@]3([C@]4([C@@]([C@@](CC4)(\C=C\I)O)(CC[C@]23[H])C)[H])[H])c1F |
| SPLASH | splash10-0udi-0941100000-1044a1b01e59bb00741c |
| Source of Spectrum | E1-36-3064-12 |
| Synonyms | (17beta)-4-fluoro-17-[(E)-2-iodoethenyl]estra-1(10),2,4-triene-3,17-diol 4-Fluoro-(17.alpha.,20E)iodovinylestra-3,17-diol (8R,9S,13S,14S,17R)-4-fluoro-17-[(E)-2-iodoethenyl]-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol (8R,9S,13S,14S,17R)-4-fluoranyl-17-[(E)-2-iodanylethenyl]-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol |
| Wiley ID | 1574775 |