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11-Oxo-etiocholanolone 16-enol, O,O'-bis-TMS
SpectraBase Compound ID 3X3MFsHayrv
InChI InChI=1S/C25H44O3Si2/c1-24-14-13-18(27-29(3,4)5)15-17(24)9-10-19-20-11-12-22(28-30(6,7)8)25(20,2)16-21(26)23(19)24/h12,17-20,23H,9-11,13-16H2,1-8H3/t17-,18-,19?,20?,23?,24+,25+/m1/s1
InChIKey WVAUMJSMTXFZDS-WJMPOCRZSA-N
Mol Weight 448.8 g/mol
Molecular Formula C25H44O3Si2
Exact Mass 448.282898 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F5vJ2JicJ3j
Name 11-Oxo-etiocholanolone 16-enol, O,O'-bis-TMS
Copyright Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 448.282898344 u
Formula C25H44O3Si2
InChI InChI=1S/C25H44O3Si2/c1-24-14-13-18(27-29(3,4)5)15-17(24)9-10-19-20-11-12-22(28-30(6,7)8)25(20,2)16-21(26)23(19)24/h12,17-20,23H,9-11,13-16H2,1-8H3/t17-,18-,19?,20?,23?,24+,25+/m1/s1
InChIKey WVAUMJSMTXFZDS-WJMPOCRZSA-N
Molecular Weight 448.794 g/mol
Nominal Mass 448 u
Number of Peaks 44
SMILES C=1(O[Si](C)(C)C)[C@]2(C)C(CC1)C1C(C(=O)C2)[C@]2(C)[C@]([H])(CC1)C[C@](O[Si](C)(C)C)(CC2)[H]
SPLASH splash10-0k96-1109100000-138487ff9a95dc805a95
Source File Reference DSHS_50_1173
Source of Spectrum Dr. M.K.Parr, Dr. G.Opfermann, Prof. W.Schaenzer, DSHS Cologne, Germany
Wiley ID 50_1173