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16-Fluoroestradiol

View entire compound with spectra: 1 MS (GC)

16-Fluoroestradiol
SpectraBase Compound ID GNIvyfbYfY8
InChI InChI=1S/C18H23FO2/c1-18-7-6-13-12-5-3-11(20)8-10(12)2-4-14(13)15(18)9-16(19)17(18)21/h3,5,8,13-17,20-21H,2,4,6-7,9H2,1H3/t13-,14-,15+,16?,17+,18+/m1/s1
InChIKey KDLLNMRYZGUVMA-ZKWAUYSQSA-N
Mol Weight 290.38 g/mol
Molecular Formula C18H23FO2
Exact Mass 290.168208 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2k2K0tF8QUV
Name 16-Fluoroestradiol
CAS Registry Number 84693-92-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H23FO2
InChI InChI=1S/C18H23FO2/c1-18-7-6-13-12-5-3-11(20)8-10(12)2-4-14(13)15(18)9-16(19)17(18)21/h3,5,8,13-17,20-21H,2,4,6-7,9H2,1H3/t13-,14-,15+,16?,17+,18+/m1/s1
InChIKey KDLLNMRYZGUVMA-ZKWAUYSQSA-N
Molecular Weight 290.378 g/mol
SMILES Oc1ccc2c(CC[C@]3([C@]4([C@@]([C@](C(C4)F)(O)[H])(CC[C@]23[H])C)[H])[H])c1
SPLASH splash10-00di-0690000000-34f0e53fb1013387450c
Source of Spectrum J-49-4903-0
Synonyms Estra-1,3,5(10)-triene-3,17-diol, 16-fluoro-, (16beta,17beta)- (8R,9S,13S,14S,17R)-16-fluoranyl-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
Wiley ID 1293869