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16.beta.-Fluoro-11.beta.-methoxyestra-1,3,5(10)-trien-3,17-diol
SpectraBase Compound ID B8tlfX7F1Op
InChI InChI=1S/C19H25FO3/c1-19-9-16(23-2)17-12-6-4-11(21)7-10(12)3-5-13(17)14(19)8-15(20)18(19)22/h4,6-7,13-18,21-22H,3,5,8-9H2,1-2H3/t13-,14-,15-,16-,17+,18?,19-/m0/s1
InChIKey HPWNWIGEGOPWMQ-FNPAGKFLSA-N
Mol Weight 320.4 g/mol
Molecular Formula C19H25FO3
Exact Mass 320.178773 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AHMXWm99vGX
Name 16.beta.-Fluoro-11.beta.-methoxyestra-1,3,5(10)-trien-3,17-diol
Alternate Name(s) (11beta,16beta)-16-fluoro-11-methoxyestra-1,3,5(10)-triene-3,17-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H25FO3
InChI InChI=1S/C19H25FO3/c1-19-9-16(23-2)17-12-6-4-11(21)7-10(12)3-5-13(17)14(19)8-15(20)18(19)22/h4,6-7,13-18,21-22H,3,5,8-9H2,1-2H3/t13-,14-,15-,16-,17+,18?,19-/m0/s1
InChIKey HPWNWIGEGOPWMQ-FNPAGKFLSA-N
Molecular Weight 320.404 g/mol
SMILES OC1[C@](C[C@]2([C@@]3(CCc4c(ccc(c4)O)[C@]3([C@](C[C@]12C)(OC)[H])[H])[H])[H])(F)[H]
SPLASH splash10-00di-0927000000-5fb2e8aa14c612b6ad7e
Source of Spectrum E1-36-1626-7
Wiley ID 1574659