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3b-hydroxy-5a-cholestane-6-one TMS derivative
SpectraBase Compound ID CnUOHqtNrHN
InChI InChI=1S/C30H54O2Si/c1-20(2)10-9-11-21(3)24-12-13-25-28-26(15-17-30(24,25)5)29(4)16-14-23(32-33(6,7)8)18-22(29)19-27(28)31/h20-26,28H,9-19H2,1-8H3/t21-,22-,23+,24-,25+,26?,28+,29+,30-/m1/s1
InChIKey BFDYAROMRJJUOB-MNLSKUBVSA-N
Mol Weight 474.8 g/mol
Molecular Formula C30H54O2Si
Exact Mass 474.389308 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AfA0ZaBGRu6
Name 3b-hydroxy-5a-cholestane-6-one TMS derivative
Alternate Name(s) (3beta,5alpha)-3-[(trimethylsilyl)oxy]cholestan-7-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H54O2Si
InChI InChI=1S/C30H54O2Si/c1-20(2)10-9-11-21(3)24-12-13-25-28-26(15-17-30(24,25)5)29(4)16-14-23(32-33(6,7)8)18-22(29)19-27(28)31/h20-26,28H,9-19H2,1-8H3/t21-,22-,23+,24-,25+,26?,28+,29+,30-/m1/s1
InChIKey BFDYAROMRJJUOB-MNLSKUBVSA-N
Molecular Weight 474.845 g/mol
SMILES [C@@]12([C@]([C@@]3(C(C[C@@]4([C@@](C3CC2)(CC[C@](O[Si](C)(C)C)(C4)[H])C)[H])=O)[H])(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C
SPLASH splash10-0089-0007900000-5a01d23745adeb93017f
Source of Spectrum JA-4-327-0
Wiley ID 1394020