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17-epi-Methyltestosterone-3-(N-n-octyl-amino)-carbonylmethoxime, O-TMS 1.isomer
SpectraBase Compound ID LcSYvc2vswG
InChI InChI=1S/C33H58N2O3Si/c1-8-9-10-11-12-13-22-34-30(36)24-37-35-26-16-19-31(2)25(23-26)14-15-27-28(31)17-20-32(3)29(27)18-21-33(32,4)38-39(5,6)7/h23,27-29H,8-22,24H2,1-7H3,(H,34,36)/b35-26+/t27?,28?,29?,31-,32-,33+/m0/s1
InChIKey SHSGLRKVVLVBHX-WGYSNITKSA-N
Mol Weight 558.9 g/mol
Molecular Formula C33H58N2O3Si
Exact Mass 558.42167 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LYaklUKp9mo
Name 17-epi-Methyltestosterone-3-(N-n-octyl-amino)-carbonylmethoxime, O-TMS 1.isomer
Copyright Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 558.421670268 u
Formula C33H58N2O3Si
InChI InChI=1S/C33H58N2O3Si/c1-8-9-10-11-12-13-22-34-30(36)24-37-35-26-16-19-31(2)25(23-26)14-15-27-28(31)17-20-32(3)29(27)18-21-33(32,4)38-39(5,6)7/h23,27-29H,8-22,24H2,1-7H3,(H,34,36)/b35-26+/t27?,28?,29?,31-,32-,33+/m0/s1
InChIKey SHSGLRKVVLVBHX-WGYSNITKSA-N
Molecular Weight 558.923 g/mol
Nominal Mass 558 u
Number of Peaks 43
SMILES [C@]1(O[Si](C)(C)C)(C)[C@]2(CCC3[C@]4(CC\C(C=C4CCC3C2CC1)=N/OCC(=O)NCCCCCCCC)C)C
SPLASH splash10-052u-7862790000-41b1cd49ddf20ee56e3a
Source File Reference DSHS_50_0545
Source of Spectrum Dr. M.K.Parr, Dr. G.Opfermann, Prof. W.Schaenzer, DSHS Cologne, Germany
Wiley ID 50_545