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3-Hydroxyandrost-4-ene-6,17-dione TMS
SpectraBase Compound ID G9TXpJk4QXX
InChI InChI=1S/C22H34O3Si/c1-21-10-8-14(25-26(3,4)5)12-18(21)19(23)13-15-16-6-7-20(24)22(16,2)11-9-17(15)21/h12,14-17H,6-11,13H2,1-5H3/t14-,15-,16-,17-,21+,22-/m0/s1
InChIKey JWBRPQPPFAUYTG-XBUNIHIVSA-N
Mol Weight 374.6 g/mol
Molecular Formula C22H34O3Si
Exact Mass 374.227721 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8K15VS8Ldqq
Name 3-Hydroxyandrost-4-ene-6,17-dione TMS
Classification Pharmaceutical drug derivative
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 374.227721487 u
Formula C22H34O3Si
InChI InChI=1S/C22H34O3Si/c1-21-10-8-14(25-26(3,4)5)12-18(21)19(23)13-15-16-6-7-20(24)22(16,2)11-9-17(15)21/h12,14-17H,6-11,13H2,1-5H3/t14-,15-,16-,17-,21+,22-/m0/s1
InChIKey JWBRPQPPFAUYTG-XBUNIHIVSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 374.596 g/mol
Nominal Mass 374 u
Quality 992
Retention Index 2878
SMILES [C@]12([C@@]([C@@]3(C(C(C2)=O)=C[C@](CC3)(O[Si](C)(C)C)[H])C)(CC[C@]2([C@]1(CCC2=O)[H])C)[H])[H]
SPLASH splash10-00di-4609000000-3678af6b90f5b9d9a4cf
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms (3aS,3bR,7S,9aR,9bS,11aS)-9a,11a-dimethyl-7-((trimethylsilyl)oxy)-3,3a,3b,4,7,8,9,9a,9b,10,11,\r11a-dodecahydro-1H-cyclopenta[a]phenanthrene-1,5(2H)-dione
Technique GC/MS
Wiley ID DD2024_014451