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1(10),2,4-triene-4-Fluoro-7.alpha.-methyl-(17.alpha.,Z)-17-(2-iodovinyl)estra-3,17-diol
SpectraBase Compound ID ITMR0IHEsC0
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-KDWCCPSCSA-N
Mol Weight 456.34 g/mol
Molecular Formula C21H26FIO2
Exact Mass 456.096153 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 82vVEqPPKwG
Name 1(10),2,4-triene-4-Fluoro-7.alpha.-methyl-(17.alpha.,Z)-17-(2-iodovinyl)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-KDWCCPSCSA-N
Molecular Weight 456.340 g/mol
SMILES O[C@]1(CC[C@@]2([C@@]1(CC[C@@]1(c3c(c(c(cc3)O)F)C[C@]([C@@]21[H])(C)[H])[H])C)[H])\C=C/I
SPLASH splash10-052b-0093300000-dc93afafbf15bd3e83e9
Source of Spectrum E1-36-3064-13
Synonyms (7alpha,17beta)-4-fluoro-17-[(Z)-2-iodoethenyl]-7-methylestra-1(10),2,4-triene-3,17-diol 4-Fluoro-7-methoxy-(17.alpha.,20Z)iodovinylestra-3,17-diol (7R,8R,9S,13S,14S,17R)-4-fluoro-17-[(Z)-2-iodoethenyl]-7,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol (7R,8R,9S,13S,14S,17R)-4-fluoranyl-17-[(Z)-2-iodanylethenyl]-7,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
Wiley ID 1574767