| SpectraBase Compound ID | 3Nv6KQOhsir |
|---|---|
| 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-AQYZHNDFSA-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 | AMh00vYc0oQ |
|---|---|
| Name | 1(10),2,4-triene-2-Fluoro-(17.alpha.,Z) 17-(2-iodovinyl)estra-3,17-diol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H24FIO2 |
| InChI | InChI=1S/C20H24FIO2/c1-19-6-4-13-14(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-AQYZHNDFSA-N |
| Molecular Weight | 442.313 g/mol |
| SMILES | Oc1c(cc2c(CC[C@]3([C@]4([C@@]([C@@](CC4)(\C=C/I)O)(CC[C@]23[H])C)[H])[H])c1)F |
| SPLASH | splash10-0ufr-0900100000-2e65e38423a95fa906d0 |
| Source of Spectrum | E1-36-3064-9 |
| Synonyms | (17beta)-2-fluoro-17-[(Z)-2-iodoethenyl]estra-1(10),2,4-triene-3,17-diol 2-Fluoro-(17.alpha.,20Z)iodovinylestra-3,17-diol (8R,9S,13S,14S,17R)-2-fluoro-17-[(Z)-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)-2-fluoranyl-17-[(Z)-2-iodanylethenyl]-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol |
| Wiley ID | 1574776 |