| SpectraBase Compound ID | H4V7mMJLTIt |
|---|---|
| InChI | InChI=1S/C21H26FIO2/c1-12-11-15-13(3-4-17(24)19(15)22)14-5-7-20(2)16(18(12)14)6-8-21(20,25)9-10-23/h3-4,9-10,12,14,16,18,24-25H,5-8,11H2,1-2H3/b10-9+/t12-,14?,16?,18?,20+,21-/m1/s1 |
| InChIKey | JFUXMQIYWCLHHZ-INIBHVARSA-N |
| Mol Weight | 456.34 g/mol |
| Molecular Formula | C21H26FIO2 |
| Exact Mass | 456.096153 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 6YDOrIKnKeD |
|---|---|
| Name | 4-Fluoro-7.alpha.-methyl-(17.alpha.,20E)iodovinyl-1(10),2,4-trien-estra-3,17-diol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H26FIO2 |
| InChI | InChI=1S/C21H26FIO2/c1-12-11-15-13(3-4-17(24)19(15)22)14-5-7-20(2)16(18(12)14)6-8-21(20,25)9-10-23/h3-4,9-10,12,14,16,18,24-25H,5-8,11H2,1-2H3/b10-9+/t12-,14?,16?,18?,20+,21-/m1/s1 |
| InChIKey | JFUXMQIYWCLHHZ-INIBHVARSA-N |
| Molecular Weight | 456.340 g/mol |
| SMILES | O[C@]1(CCC2[C@@]1(CCC1c3c(c(c(cc3)O)F)C[C@](C21)(C)[H])C)\C=C\I |
| SPLASH | splash10-054k-0095200000-72b629bf0d60eac10b3e |
| Source of Spectrum | E1-36-3064-12 |
| Synonyms | (7alpha,17beta)-4-fluoro-17-[(E)-2-iodoethenyl]-7-methylestra-1(10),2,4-triene-3,17-diol (7R,13S,17R)-4-fluoranyl-17-[(E)-2-iodanylethenyl]-7,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol (7R,13S,17R)-4-fluoro-17-[(E)-2-iodoethenyl]-7,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol (7R,13S,17R)-4-fluoro-17-[(E)-2-iodovinyl]-7,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol 4-Fluoro-7-methyl-(17.alpha.,20E)iodovinylestra-3,17-diol |
| Wiley ID | 1574768 |