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(20S)-Des-A,B-22,22-dimethyl-25-[(triethylsilyl)oxy]-cholestan-8-one
SpectraBase Compound ID djOSUhuafr
InChI InChI=1S/C26H50O2Si/c1-10-29(11-2,12-3)28-25(7,8)19-18-24(5,6)20(4)21-15-16-22-23(27)14-13-17-26(21,22)9/h20-22H,10-19H2,1-9H3/t20-,21+,22-,26+/m0/s1
InChIKey CDHNJKNNMZXCDS-IMIIHFCZSA-N
Mol Weight 422.8 g/mol
Molecular Formula C26H50O2Si
Exact Mass 422.358007 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2jPhkFLr7Po
Name (20S)-Des-A,B-22,22-dimethyl-25-[(triethylsilyl)oxy]-cholestan-8-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H50O2Si
InChI InChI=1S/C26H50O2Si/c1-10-29(11-2,12-3)28-25(7,8)19-18-24(5,6)20(4)21-15-16-22-23(27)14-13-17-26(21,22)9/h20-22H,10-19H2,1-9H3/t20-,21+,22-,26+/m0/s1
InChIKey CDHNJKNNMZXCDS-IMIIHFCZSA-N
Instrument Name Micromass AutoSpec
Ionization Type EI
Literature Reference DOI 10.1021/jm300187x
Molecular Weight 422.769 g/mol
Optical Rotation [a]D = -19.2 (c = 1.0, CHCl3)
Reported Formula C26H50O2Si
SMILES C1C[C@]2([C@](C(C1)=O)(CC[C@@]2([C@](C)(C(C)(C)CCC(C)(C)O[Si](CC)(CC)CC)[H])[H])[H])C
SPLASH splash10-03di-0911000000-98c030884ac96f99a9b1
Source of Spectrum AF-55-SM12-39
Wiley ID 1852067