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3-Hydroxyandrost-4-ene-6,17-dione 2TMS II
SpectraBase Compound ID L9oZNB0TDqq
InChI InChI=1S/C25H42O3Si2/c1-24-13-11-17(27-29(3,4)5)15-21(24)22(28-30(6,7)8)16-18-19-9-10-23(26)25(19,2)14-12-20(18)24/h15-20H,9-14H2,1-8H3/t17-,18-,19-,20-,24+,25-/m0/s1
InChIKey JQYNWAJLWQIFGV-BPFYWQCXSA-N
Mol Weight 446.8 g/mol
Molecular Formula C25H42O3Si2
Exact Mass 446.267248 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8GsPT8M0ePo
Name 3-Hydroxyandrost-4-ene-6,17-dione 2TMS II
Classification Pharmaceutical drug derivative
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 446.267248279 u
Formula C25H42O3Si2
InChI InChI=1S/C25H42O3Si2/c1-24-13-11-17(27-29(3,4)5)15-21(24)22(28-30(6,7)8)16-18-19-9-10-23(26)25(19,2)14-12-20(18)24/h15-20H,9-14H2,1-8H3/t17-,18-,19-,20-,24+,25-/m0/s1
InChIKey JQYNWAJLWQIFGV-BPFYWQCXSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 446.778 g/mol
Nominal Mass 446 u
Quality 996
Retention Index 3350
SMILES [C@]12([C@@]([C@@]3(C(C(=C2)O[Si](C)(C)C)=C[C@](CC3)(O[Si](C)(C)C)[H])C)(CC[C@]2([C@]1(CCC2=O)[H])C)[H])[H]
SPLASH splash10-0002-2224900000-c172158e5f78f39df5bb
Sample Comments TMS position uncertain
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms (3aS,3bR,7S,9aR,9bS,11aS)-9a,11a-dimethyl-5,7-bis((trimethylsilyl)oxy)-2,3,3a,3b,7,8,9,9a,9b,\r10,11,11a-dodecahydro-1H-cyclopenta[a]phenanthren-1-one
Technique GC/MS
Wiley ID DD2024_014452