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5.beta.-cholestane-3-one-6.beta.-ol TMS ether
SpectraBase Compound ID 2cHqhs5nPhJ
InChI InChI=1S/C30H54O2Si/c1-20(2)10-9-11-21(3)24-12-13-25-23-19-28(32-33(6,7)8)27-18-22(31)14-16-30(27,5)26(23)15-17-29(24,25)4/h20-21,23-28H,9-19H2,1-8H3/t21-,23+,24-,25+,26+,27+,28-,29-,30-/m1/s1
InChIKey UQFAFZGPKKUMCI-KCVNDFNQSA-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 Eckhv0CBLcx
Name 5.beta.-cholestane-3-one-6.beta.-ol TMS ether
CAS Registry Number 77828-30-9
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)24-12-13-25-23-19-28(32-33(6,7)8)27-18-22(31)14-16-30(27,5)26(23)15-17-29(24,25)4/h20-21,23-28H,9-19H2,1-8H3/t21-,23+,24-,25+,26+,27+,28-,29-,30-/m1/s1
InChIKey UQFAFZGPKKUMCI-KCVNDFNQSA-N
Molecular Weight 474.845 g/mol
SMILES [C@@]12([C@@]3([C@@]([C@@]4(CC[C@@]([C@]4(CC3)C)([C@@](CCCC(C)C)(C)[H])[H])[H])([H])C[C@]([C@@]2(CC(CC1)=O)[H])(O[Si](C)(C)C)[H])[H])C
SPLASH splash10-05fr-0216900000-66a39a467790d105be15
Source of Spectrum KO-6-138-3
Synonyms (5beta,6beta)-6-[(trimethylsilyl)oxy]cholestan-3-one Cholestan-3-one, 6-[(trimethylsilyl)oxy]-, (5.beta.,6.beta.)-
Wiley ID 1394017