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16,16-Di(trideutero)methyl-3.alpha.-trideuteromethoxy-5.alpha.-androstan-17-one
SpectraBase Compound ID LTzIYEioPBO
InChI InChI=1S/C22H36O2/c1-20(2)13-18-16-7-6-14-12-15(24-5)8-10-21(14,3)17(16)9-11-22(18,4)19(20)23/h14-18H,6-13H2,1-5H3/t14-,15+,16+,17-,18-,21-,22-/m0/s1/i1D3,2D3,5D3
InChIKey IZGFTAHESUHAEQ-UDHHXPJKSA-N
Mol Weight 341.58 g/mol
Molecular Formula C22H272D9O2
Exact Mass 341.328021 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8jXe92rUgPJ
Name 16,16-Di(trideutero)methyl-3.alpha.-trideuteromethoxy-5.alpha.-androstan-17-one
Alternate Name(s) 16,16-di(trideutero)methyl-androsterone trideuteromethyl ether
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H27D9O2
InChI InChI=1S/C22H36O2/c1-20(2)13-18-16-7-6-14-12-15(24-5)8-10-21(14,3)17(16)9-11-22(18,4)19(20)23/h14-18H,6-13H2,1-5H3/t14-,15+,16+,17-,18-,21-,22-/m0/s1/i1D3,2D3,5D3
InChIKey IZGFTAHESUHAEQ-UDHHXPJKSA-N
Molecular Weight 341.583 g/mol
SMILES [C@@]12([C@]([C@@]3(CC[C@@]4([C@@]([C@]3(CC2)[H])(CC[C@@](OC([2D])([2D])[2D])(C4)[H])C)[H])[H])(CC(C1=O)(C([2D])([2D])[2D])C([2D])([2D])[2D])[H])C
SPLASH splash10-0uxu-0292000000-0fcc92b6b5e056c450db
Source of Spectrum BS-1-43-0
Wiley ID 1329950