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16.beta.-(Trifluoroacetamido)-17-oxo-5.alpha.-androstan-3.beta.-yl acetate
SpectraBase Compound ID IIQ5LgwPmA2
InChI InChI=1S/C23H32F3NO4/c1-12(28)31-14-6-8-21(2)13(10-14)4-5-15-16(21)7-9-22(3)17(15)11-18(19(22)29)27-20(30)23(24,25)26/h13-18H,4-11H2,1-3H3,(H,27,30)/t13-,14-,15?,16?,17?,18-,21-,22-/m0/s1
InChIKey SSYYBJRJXLBUIQ-JRFHSBHESA-N
Mol Weight 443.5 g/mol
Molecular Formula C23H32F3NO4
Exact Mass 443.228343 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KG6dUteXRxf
Name 16.beta.-(Trifluoroacetamido)-17-oxo-5.alpha.-androstan-3.beta.-yl acetate
Alternate Name(s) (3beta,5alpha,16beta)-17-oxo-16-[(trifluoroacetyl)amino]androstan-3-yl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H32F3NO4
InChI InChI=1S/C23H32F3NO4/c1-12(28)31-14-6-8-21(2)13(10-14)4-5-15-16(21)7-9-22(3)17(15)11-18(19(22)29)27-20(30)23(24,25)26/h13-18H,4-11H2,1-3H3,(H,27,30)/t13-,14-,15?,16?,17?,18-,21-,22-/m0/s1
InChIKey SSYYBJRJXLBUIQ-JRFHSBHESA-N
Molecular Weight 443.507 g/mol
SMILES N(C(C(F)(F)F)=O)[C@@]1(C([C@@]2(C(C3CC[C@@]4([C@@](C3CC2)(CC[C@](OC(=O)C)(C4)[H])C)[H])C1)C)=O)[H]
SPLASH splash10-0gdi-0090100000-48a40802cebb102ed17a
Source of Spectrum G-64-1461-5
Wiley ID 749590