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3,17-Diacetoxy-19,19,19-trifluoro-8,14-secoandrosta-3,5,9(11),16-tetraene-14-one
SpectraBase Compound ID FGCqwMsjoIh
InChI InChI=1S/C23H25F3O5/c1-14(27)30-18-10-12-22(23(24,25)26)16(5-4-6-17(22)13-18)9-11-21(3)19(29)7-8-20(21)31-15(2)28/h6,8-9,13H,4-5,7,10-12H2,1-3H3/b16-9+/t21-,22-/m0/s1
InChIKey GTBZDLMZEHPNJJ-UNPMEJEESA-N
Mol Weight 438.44 g/mol
Molecular Formula C23H25F3O5
Exact Mass 438.165408 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GXwQeCIMkJM
Name 3,17-Diacetoxy-19,19,19-trifluoro-8,14-secoandrosta-3,5,9(11),16-tetraene-14-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H25F3O5
InChI InChI=1S/C23H25F3O5/c1-14(27)30-18-10-12-22(23(24,25)26)16(5-4-6-17(22)13-18)9-11-21(3)19(29)7-8-20(21)31-15(2)28/h6,8-9,13H,4-5,7,10-12H2,1-3H3/b16-9+/t21-,22-/m0/s1
InChIKey GTBZDLMZEHPNJJ-UNPMEJEESA-N
Molecular Weight 438.443 g/mol
SMILES [C@@]12(C(C=C(CC2)OC(=O)C)=CCC\C1=C\C[C@@]1(C(=CCC1=O)OC(=O)C)C)C(F)(F)F
SPLASH splash10-0002-0974000000-b7f0f4aa264bae67778c
Source of Spectrum KC-0-1917-34
Synonyms (5R)-5-[(2E)-2-((8aS)-6-(acetyloxy)-8a-(trifluoromethyl)-3,7,8,8a-tetrahydro-1(2H)-naphthalenylidene)ethyl]-5-methyl-4-oxo-1-cyclopenten-1-yl acetate
Wiley ID 822884