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3-Oxo-16-.alpha.,17-.beta.-bis(acetyloxy)-10.beta.-fluoroestra-1,4-diene

View entire compound with spectra: 1 MS (GC)

3-Oxo-16-.alpha.,17-.beta.-bis(acetyloxy)-10.beta.-fluoroestra-1,4-diene
SpectraBase Compound ID E7Rs3e1q8tA
InChI InChI=1S/C22H27FO5/c1-12(24)27-19-11-18-16-5-4-14-10-15(26)6-9-22(14,23)17(16)7-8-21(18,3)20(19)28-13(2)25/h6,9-10,16-20H,4-5,7-8,11H2,1-3H3/t16-,17+,18+,19-,20+,21+,22-/m1/s1
InChIKey LLLHUBXXXZKPEH-ZOSSLFJCSA-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 2PQ7azWl6c
Name 3-Oxo-16-.alpha.,17-.beta.-bis(acetyloxy)-10.beta.-fluoroestra-1,4-diene
Alternate Name(s) (16alpha,17beta)-16-(acetyloxy)-10-fluoro-3-oxoestra-1,4-dien-17-yl acetate Acetic acid[(8S,9S,10S,13S,14S,16R,17R)-17-acetoxy-10-fluoro-3-keto-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-16-yl]ester Acetic acid[(8S,9S,10S,13S,14S,16R,17R)-17-acetyloxy-10-fluoro-13-methyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-16-yl]ester [(8S,9S,10S,13S,14S,16R,17R)-17-acetoxy-10-fluoro-13-methyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-16-yl]acetate [(8S,9S,10S,13S,14S,16R,17R)-17-acetyloxy-10-fluoranyl-13-methyl-3-oxidanylidene-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-16-yl]ethanoate [(8S,9S,10S,13S,14S,16R,17R)-17-acetyloxy-10-fluoro-13-methyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-16-yl]acetate Acetic acid [(8S,9S,10S,13S,14S,16R,17R)-17-acetyloxy-10-fluoro-13-methyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-16-yl] ester [(8S,9S,10S,13S,14S,16R,17R)-17-acetyloxy-10-fluoro-13-methyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-16-yl] acetate [(8S,9S,10S,13S,14S,16R,17R)-17-acetoxy-10-fluoro-13-methyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-16-yl] acetate [(8S,9S,10S,13S,14S,16R,17R)-17-acetyloxy-10-fluoranyl-13-methyl-3-oxidanylidene-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-16-yl] ethanoate
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Formula C22H27FO5
InChI InChI=1S/C22H27FO5/c1-12(24)27-19-11-18-16-5-4-14-10-15(26)6-9-22(14,23)17(16)7-8-21(18,3)20(19)28-13(2)25/h6,9-10,16-20H,4-5,7-8,11H2,1-3H3/t16-,17+,18+,19-,20+,21+,22-/m1/s1
InChIKey LLLHUBXXXZKPEH-ZOSSLFJCSA-N
Molecular Weight 390.451 g/mol
SMILES [C@@]12([C@]([C@@]3(CCC=4[C@@]([C@]3(CC2)[H])(C=CC(=O)C4)F)[H])(C[C@]([C@@]1(OC(=O)C)[H])(OC(=O)C)[H])[H])C
SPLASH splash10-007p-7539000000-8f307bb11439032f9ee9
Source of Spectrum O-29-37-4
Wiley ID 1364840