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3,16.beta.-Diacetoxy-2-fluoroestra-1,3,5(10)-trien-17-one

View entire compound with spectra: 1 MS (GC)

3,16.beta.-Diacetoxy-2-fluoroestra-1,3,5(10)-trien-17-one
SpectraBase Compound ID AAuqt2I7SDI
InChI InChI=1S/C22H25FO5/c1-11(24)27-19-8-13-4-5-15-14(16(13)9-18(19)23)6-7-22(3)17(15)10-20(21(22)26)28-12(2)25/h8-9,14-15,17,20H,4-7,10H2,1-3H3/t14-,15+,17-,20-,22-/m0/s1
InChIKey RAVBJGCAQBJARX-HXMMLABLSA-N
Mol Weight 388.44 g/mol
Molecular Formula C22H25FO5
Exact Mass 388.168602 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F5ASdATiqi2
Name 3,16.beta.-Diacetoxy-2-fluoroestra-1,3,5(10)-trien-17-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H25FO5
InChI InChI=1S/C22H25FO5/c1-11(24)27-19-8-13-4-5-15-14(16(13)9-18(19)23)6-7-22(3)17(15)10-20(21(22)26)28-12(2)25/h8-9,14-15,17,20H,4-7,10H2,1-3H3/t14-,15+,17-,20-,22-/m0/s1
InChIKey RAVBJGCAQBJARX-HXMMLABLSA-N
Molecular Weight 388.435 g/mol
SMILES c1(c(cc2c(c1)CC[C@]1([C@@]3(C[C@@](C([C@@]3(C)CC[C@]21[H])=O)(OC(=O)C)[H])[H])[H])F)OC(=O)C
SPLASH splash10-000t-0059000000-44befadafd9990a50e6a
Source of Spectrum K-2002-661-10
Synonyms (16beta)-16-(acetyloxy)-2-fluoro-17-oxoestra-1,3,5(10)-trien-3-yl acetate Acetic acid[(8R,9S,13S,14S,16S)-3-acetoxy-2-fluoro-17-keto-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-16-yl]ester Acetic acid[(8R,9S,13S,14S,16S)-3-acetyloxy-2-fluoro-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-16-yl]ester [(8R,9S,13S,14S,16S)-3-acetoxy-2-fluoro-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-16-yl]acetate [(8R,9S,13S,14S,16S)-3-acetyloxy-2-fluoranyl-13-methyl-17-oxidanylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-16-yl]ethanoate [(8R,9S,13S,14S,16S)-3-acetyloxy-2-fluoro-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-16-yl]acetate Acetic acid [(8R,9S,13S,14S,16S)-3-acetyloxy-2-fluoro-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-16-yl] ester [(8R,9S,13S,14S,16S)-3-acetyloxy-2-fluoro-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-16-yl] acetate [(8R,9S,13S,14S,16S)-3-acetoxy-2-fluoro-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-16-yl] acetate [(8R,9S,13S,14S,16S)-3-acetyloxy-2-fluoranyl-13-methyl-17-oxidanylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-16-yl] ethanoate
Wiley ID 1580971