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16.beta.-Hydroxy-3-[[(trifluoromethyl)sulfonyl]oxy]androst-3,5-dien-17-one
SpectraBase Compound ID 2vGRSZkr6bQ
InChI InChI=1S/C20H25F3O5S/c1-18-7-5-12(28-29(26,27)20(21,22)23)9-11(18)3-4-13-14(18)6-8-19(2)15(13)10-16(24)17(19)25/h3,9,13-16,24H,4-8,10H2,1-2H3/t13-,14+,15+,16+,18+,19+/m1/s1
InChIKey FXQBRUPCDPFBCA-HKQXQEGQSA-N
Mol Weight 434.47 g/mol
Molecular Formula C20H25F3O5S
Exact Mass 434.13748 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JcWT6L1DeTL
Name 16.beta.-Hydroxy-3-[[(trifluoromethyl)sulfonyl]oxy]androst-3,5-dien-17-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H25F3O5S
InChI InChI=1S/C20H25F3O5S/c1-18-7-5-12(28-29(26,27)20(21,22)23)9-11(18)3-4-13-14(18)6-8-19(2)15(13)10-16(24)17(19)25/h3,9,13-16,24H,4-8,10H2,1-2H3/t13-,14+,15+,16+,18+,19+/m1/s1
InChIKey FXQBRUPCDPFBCA-HKQXQEGQSA-N
Molecular Weight 434.470 g/mol
SMILES O[C@]1(C[C@]2([C@@]3(CC=C4C=C(CC[C@@]4([C@]3(CC[C@@]2(C1=O)C)[H])C)OS(=O)(=O)C(F)(F)F)[H])[H])[H]
SPLASH splash10-0a4l-9751200000-5e3569bb361264eb53ea
Source of Spectrum E1-35-2125-29
Synonyms (16beta)-16-hydroxy-17-oxoandrosta-3,5-dien-3-yl trifluoromethanesulfonate
Wiley ID 1574356