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(8S,20S,22S)-Des-A,B-22-cyano-8.beta.,25-bis[(triethylsilyl)oxy]-cholestane
SpectraBase Compound ID LL6DVL4Ijh0
InChI InChI=1S/C31H61NO2Si2/c1-11-35(12-2,13-3)33-29-18-17-22-31(10)27(19-20-28(29)31)25(7)26(24-32)21-23-30(8,9)34-36(14-4,15-5)16-6/h25-29H,11-23H2,1-10H3/t25-,26-,27-,28+,29+,31-/m1/s1
InChIKey GLFSXUCIOVWLHI-BQFMASGNSA-N
Mol Weight 536.0 g/mol
Molecular Formula C31H61NO2Si2
Exact Mass 535.424083 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ECHKcJnisty
Name (8S,20S,22S)-Des-A,B-22-cyano-8.beta.,25-bis[(triethylsilyl)oxy]-cholestane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H61NO2Si2
InChI InChI=1S/C31H61NO2Si2/c1-11-35(12-2,13-3)33-29-18-17-22-31(10)27(19-20-28(29)31)25(7)26(24-32)21-23-30(8,9)34-36(14-4,15-5)16-6/h25-29H,11-23H2,1-10H3/t25-,26-,27-,28+,29+,31-/m1/s1
InChIKey GLFSXUCIOVWLHI-BQFMASGNSA-N
Instrument Name Micromass AutoSpec
Ionization Type EI
Literature Reference DOI 10.1021/jm300187x
Molecular Weight 536.004 g/mol
Reported Formula C31H61O2NSi2
SMILES C1C[C@]2([C@]([C@](C1)(O[Si](CC)(CC)CC)[H])(CC[C@@]2([C@](C)([C@@](C#N)(CCC(O[Si](CC)(CC)CC)(C)C)[H])[H])[H])[H])C
SPLASH splash10-004i-2320900000-ca11348dbac9e7b3784e
Source of Spectrum AF-55-SM3-12b
Wiley ID 1852039