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3-Hydroxy-11.alpha.-fluoro-9.beta.-methylestra-1,3,5(10)trien-17-one
SpectraBase Compound ID FPlk1eKFN0R
InChI InChI=1S/C19H23FO2/c1-18-10-16(20)19(2)13-6-4-12(21)9-11(13)3-5-15(19)14(18)7-8-17(18)22/h4,6,9,14-16,21H,3,5,7-8,10H2,1-2H3/t14-,15-,16+,18-,19-/m0/s1
InChIKey JWMXKELZZSZXGP-KWWJQKEASA-N
Mol Weight 302.39 g/mol
Molecular Formula C19H23FO2
Exact Mass 302.168208 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7GOkTmmwLvo
Name 3-Hydroxy-11.alpha.-fluoro-9.beta.-methylestra-1,3,5(10)trien-17-one
Alternate Name(s) (9beta,11alpha)-11-fluoro-3-hydroxy-9-methylestra-1,3,5(10)-trien-17-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H23FO2
InChI InChI=1S/C19H23FO2/c1-18-10-16(20)19(2)13-6-4-12(21)9-11(13)3-5-15(19)14(18)7-8-17(18)22/h4,6,9,14-16,21H,3,5,7-8,10H2,1-2H3/t14-,15-,16+,18-,19-/m0/s1
InChIKey JWMXKELZZSZXGP-KWWJQKEASA-N
Molecular Weight 302.389 g/mol
SMILES Oc1ccc2[C@]3([C@]([C@@]4(CCC([C@]4(C[C@]3(F)[H])C)=O)[H])(CCc2c1)[H])C
SPLASH splash10-03dj-0912000000-71196cc8c9e92eaa4c3b
Source of Spectrum OV-1-221-19
Wiley ID 1547550