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3-Acetoxy-19,19,19-trifluoro-8,14-secoandrosta-3,5,9(11)-triene-14,17-dione
SpectraBase Compound ID AbGA208qxuM
InChI InChI=1S/C21H23F3O4/c1-13(25)28-16-9-11-20(21(22,23)24)14(4-3-5-15(20)12-16)8-10-19(2)17(26)6-7-18(19)27/h5,8,12H,3-4,6-7,9-11H2,1-2H3/b14-8-
InChIKey DGPWLDHBIDVPSB-ZSOIEALJSA-N
Mol Weight 396.41 g/mol
Molecular Formula C21H23F3O4
Exact Mass 396.154844 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6QjwFk3h0Xk
Name 3-Acetoxy-19,19,19-trifluoro-8,14-secoandrosta-3,5,9(11)-triene-14,17-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H23F3O4
InChI InChI=1S/C21H23F3O4/c1-13(25)28-16-9-11-20(21(22,23)24)14(4-3-5-15(20)12-16)8-10-19(2)17(26)6-7-18(19)27/h5,8,12H,3-4,6-7,9-11H2,1-2H3/b14-8-
InChIKey DGPWLDHBIDVPSB-ZSOIEALJSA-N
Molecular Weight 396.406 g/mol
SMILES C12(C(C=C(CC2)OC(=O)C)=CCC\C1=C/CC1(C(CCC1=O)=O)C)C(F)(F)F
SPLASH splash10-0a4i-0092000000-b922c47df6e417759b30
Source of Spectrum KC-0-1917-8
Synonyms (5Z)-5-[2-(1-methyl-2,5-dioxocyclopentyl)ethylidene]-4a-(trifluoromethyl)-3,4,4a,5,6,7-hexahydro-2-naphthalenyl acetate 3-Acetoxytrifluoro-8,14-secoandrosta-3,5,9(11)-triene-14,17-dione
Wiley ID 822885