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16.alpha.-(Trichloroacetamido)-17-oxo-5.alpha.-androstan-3.beta.-yl acetate
SpectraBase Compound ID 5icDyXMXzuh
InChI InChI=1S/C23H32Cl3NO4/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 NTAOVPBOXQGFIU-WRVWOQJFSA-N
Mol Weight 492.9 g/mol
Molecular Formula C23H32Cl3NO4
Exact Mass 491.139692 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4cuyqBWH767
Name 16.alpha.-(Trichloroacetamido)-17-oxo-5.alpha.-androstan-3.beta.-yl acetate
Alternate Name(s) (3beta,5alpha,16alpha)-17-oxo-16-[(trichloroacetyl)amino]androstan-3-yl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H32Cl3NO4
InChI InChI=1S/C23H32Cl3NO4/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 NTAOVPBOXQGFIU-WRVWOQJFSA-N
Molecular Weight 492.871 g/mol
SMILES N(C(C(Cl)(Cl)Cl)=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-0090200000-9241539abb82f1794091
Source of Spectrum G-64-1461-6
Wiley ID 749589