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3b-hydroxy-5-cholestene-7-one TMS derivative
SpectraBase Compound ID LssEpXwH7LO
InChI InChI=1S/C30H52O2Si/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/h19-21,23-26,28H,9-18H2,1-8H3/t21-,23+,24-,25+,26+,28+,29+,30-/m1/s1
InChIKey SUBMBDZGNNFYKR-FOHPEODISA-N
Mol Weight 472.8 g/mol
Molecular Formula C30H52O2Si
Exact Mass 472.373657 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AV0duhw6hF
Name 3b-hydroxy-5-cholestene-7-one TMS derivative
CAS Registry Number 55429-58-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H52O2Si
InChI InChI=1S/C30H52O2Si/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/h19-21,23-26,28H,9-18H2,1-8H3/t21-,23+,24-,25+,26+,28+,29+,30-/m1/s1
InChIKey SUBMBDZGNNFYKR-FOHPEODISA-N
Molecular Weight 472.829 g/mol
SMILES [C@@]12([C@]([C@@]3(C(C=C4[C@@]([C@]3(CC2)[H])(CC[C@](O[Si](C)(C)C)(C4)[H])C)=O)[H])(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C
SPLASH splash10-0gb9-0122900000-f84bb7abe234801ae144
Source of Spectrum JA-4-327-0
Synonyms (3beta)-3-[(trimethylsilyl)oxy]cholest-5-en-7-one (3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-3-trimethylsilyloxy-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-one
Wiley ID 1393513