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4-Fluoroestra-1,3,5(10),16-tetraene-3,17-diol diacetate

View entire compound with spectra: 1 MS (GC)

4-Fluoroestra-1,3,5(10),16-tetraene-3,17-diol diacetate
SpectraBase Compound ID B5wluYGsyR4
InChI InChI=1S/C22H25FO4/c1-12(24)26-19-8-6-14-15-10-11-22(3)18(7-9-20(22)27-13(2)25)16(15)4-5-17(14)21(19)23/h6,8-9,15-16,18H,4-5,7,10-11H2,1-3H3/t15-,16-,18+,22+/m1/s1
InChIKey ZRZJTYHGNWABLR-LVOOAJGHSA-N
Mol Weight 372.44 g/mol
Molecular Formula C22H25FO4
Exact Mass 372.173687 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HDDXwWl7GKC
Name 4-Fluoroestra-1,3,5(10),16-tetraene-3,17-diol diacetate
Alternate Name(s) 17-(acetyloxy)-4-fluoroestra-1,3,5(10),16-tetraen-3-yl acetate Acetic acid[(8R,9S,13S,14S)-3-acetoxy-4-fluoro-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-yl]ester Acetic acid[(8R,9S,13S,14S)-3-acetyloxy-4-fluoro-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-yl]ester [(8R,9S,13S,14S)-3-acetoxy-4-fluoro-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-yl]acetate [(8R,9S,13S,14S)-3-acetyloxy-4-fluoranyl-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-yl]ethanoate [(8R,9S,13S,14S)-3-acetyloxy-4-fluoro-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-yl]acetate Acetic acid [(8R,9S,13S,14S)-3-acetyloxy-4-fluoro-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-yl] ester [(8R,9S,13S,14S)-3-acetyloxy-4-fluoro-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-yl] acetate [(8R,9S,13S,14S)-3-acetoxy-4-fluoro-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-yl] acetate [(8R,9S,13S,14S)-3-acetyloxy-4-fluoranyl-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-yl] ethanoate
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Formula C22H25FO4
InChI InChI=1S/C22H25FO4/c1-12(24)26-19-8-6-14-15-10-11-22(3)18(7-9-20(22)27-13(2)25)16(15)4-5-17(14)21(19)23/h6,8-9,15-16,18H,4-5,7,10-11H2,1-3H3/t15-,16-,18+,22+/m1/s1
InChIKey ZRZJTYHGNWABLR-LVOOAJGHSA-N
Molecular Weight 372.436 g/mol
SMILES c1(ccc2c(c1F)CC[C@]1([C@@]3(CC=C([C@@]3(C)CC[C@]21[H])OC(C)=O)[H])[H])OC(C)=O
SPLASH splash10-000i-0092000000-fcee97f0d0e45c95de4b
Source of Spectrum E1-36-4259-3
Wiley ID 1574822