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3,17-Diacetoxy-2-fluoroestra-1,3,5(10),16-tetraene

View entire compound with spectra: 1 MS (GC)

3,17-Diacetoxy-2-fluoroestra-1,3,5(10),16-tetraene
SpectraBase Compound ID 9aYtast3rw
InChI InChI=1S/C22H25FO4/c1-12(24)26-20-10-14-4-5-16-15(17(14)11-19(20)23)8-9-22(3)18(16)6-7-21(22)27-13(2)25/h7,10-11,15-16,18H,4-6,8-9H2,1-3H3/t15-,16+,18-,22-/m0/s1
InChIKey FASYBIPIQXHQFP-UTAOTPEMSA-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 FrL1lqmECoS
Name 3,17-Diacetoxy-2-fluoroestra-1,3,5(10),16-tetraene
Alternate Name(s) 17-(acetyloxy)-2-fluoroestra-1,3,5(10),16-tetraen-3-yl acetate Acetic acid[(8R,9S,13S,14S)-3-acetoxy-2-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-2-fluoro-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-yl]ester [(8R,9S,13S,14S)-3-acetoxy-2-fluoro-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-yl]acetate [(8R,9S,13S,14S)-3-acetyloxy-2-fluoranyl-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-yl]ethanoate [(8R,9S,13S,14S)-3-acetyloxy-2-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-2-fluoro-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-yl] ester [(8R,9S,13S,14S)-3-acetyloxy-2-fluoro-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-yl] acetate [(8R,9S,13S,14S)-3-acetoxy-2-fluoro-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-yl] acetate [(8R,9S,13S,14S)-3-acetyloxy-2-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)26-20-10-14-4-5-16-15(17(14)11-19(20)23)8-9-22(3)18(16)6-7-21(22)27-13(2)25/h7,10-11,15-16,18H,4-6,8-9H2,1-3H3/t15-,16+,18-,22-/m0/s1
InChIKey FASYBIPIQXHQFP-UTAOTPEMSA-N
Molecular Weight 372.436 g/mol
SMILES c1(c(cc2c(c1)CC[C@]1([C@@]3(CC=C([C@@]3(C)CC[C@]21[H])OC(=O)C)[H])[H])F)OC(=O)C
SPLASH splash10-000i-0093000000-fdbb898485ed302298c7
Source of Spectrum K-2002-661-9
Wiley ID 1580973