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

View entire compound with spectra: 1 MS (GC)

3,16.beta.-Diacetoxy-2-fluoroestra-1,3,5(10)-trien-17.beta.-ol
SpectraBase Compound ID 7NySTeCEJ5L
InChI InChI=1S/C22H27FO5/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/h8-9,14-15,17,20-21,26H,4-7,10H2,1-3H3/t14-,15+,17-,20-,21-,22-/m0/s1
InChIKey MAKXWOCXKPWISV-UAVGWAEXSA-N
Mol Weight 390.45 g/mol
Molecular Formula C22H27FO5
Exact Mass 390.184252 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Lj8oqypdPIa
Name 3,16.beta.-Diacetoxy-2-fluoroestra-1,3,5(10)-trien-17.beta.-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H27FO5
InChI InChI=1S/C22H27FO5/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/h8-9,14-15,17,20-21,26H,4-7,10H2,1-3H3/t14-,15+,17-,20-,21-,22-/m0/s1
InChIKey MAKXWOCXKPWISV-UAVGWAEXSA-N
Molecular Weight 390.451 g/mol
SMILES O[C@]1([C@](C[C@]2([C@@]3(CCc4cc(c(cc4[C@]3(CC[C@]12C)[H])F)OC(=O)C)[H])[H])(OC(=O)C)[H])[H]
SPLASH splash10-0089-0093000000-7affa44858508926f315
Source of Spectrum K-2002-661-11
Synonyms (16beta,17beta)-16-(acetyloxy)-2-fluoro-17-hydroxyestra-1,3,5(10)-trien-3-yl acetate Acetic acid[(8R,9S,13S,14S,16S,17R)-3-acetoxy-2-fluoro-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-16-yl]ester Acetic acid[(8R,9S,13S,14S,16S,17R)-3-acetyloxy-2-fluoro-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-16-yl]ester [(8R,9S,13S,14S,16S,17R)-3-acetoxy-2-fluoro-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-16-yl]acetate [(8R,9S,13S,14S,16S,17R)-3-acetyloxy-2-fluoranyl-13-methyl-17-oxidanyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-16-yl]ethanoate [(8R,9S,13S,14S,16S,17R)-3-acetyloxy-2-fluoro-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-16-yl]acetate Acetic acid [(8R,9S,13S,14S,16S,17R)-3-acetyloxy-2-fluoro-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-16-yl] ester [(8R,9S,13S,14S,16S,17R)-3-acetyloxy-2-fluoro-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-16-yl] acetate [(8R,9S,13S,14S,16S,17R)-3-acetoxy-2-fluoro-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-16-yl] acetate [(8R,9S,13S,14S,16S,17R)-3-acetyloxy-2-fluoranyl-13-methyl-17-oxidanyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-16-yl] ethanoate
Wiley ID 1580969