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3.beta.-(Dimethyl(t-butyl)silyloxy]-16.beta.-hydroxy-5.alpha.-pregnane-20-carbonitrile
SpectraBase Compound ID JiSfl5bIjKM
InChI InChI=1S/C28H49NO2Si/c1-18(17-29)25-24(30)16-23-21-10-9-19-15-20(31-32(7,8)26(2,3)4)11-13-27(19,5)22(21)12-14-28(23,25)6/h18-25,30H,9-16H2,1-8H3/t18?,19-,20-,21+,22-,23-,24-,25-,27-,28-/m0/s1
InChIKey IONGFWVJEGEDSZ-CJFVGIJQSA-N
Mol Weight 459.8 g/mol
Molecular Formula C28H49NO2Si
Exact Mass 459.353256 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1iOlzRlp9C9
Name 3.beta.-(Dimethyl(t-butyl)silyloxy]-16.beta.-hydroxy-5.alpha.-pregnane-20-carbonitrile
Alternate Name(s) 2-[(1S,2S,5S,7S,10R,11S,13S,14R,15S)-5-[(tert-butyldimethylsilyl)oxy]-13-hydroxy-2,15-dimethyltetracyclo[8.7.0.0(2,7).0(11,15)]heptadecan-14-yl]propanenitrile
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Formula C28H49NO2Si
InChI InChI=1S/C28H49NO2Si/c1-18(17-29)25-24(30)16-23-21-10-9-19-15-20(31-32(7,8)26(2,3)4)11-13-27(19,5)22(21)12-14-28(23,25)6/h18-25,30H,9-16H2,1-8H3/t18?,19-,20-,21+,22-,23-,24-,25-,27-,28-/m0/s1
InChIKey IONGFWVJEGEDSZ-CJFVGIJQSA-N
Molecular Weight 459.790 g/mol
SMILES O[C@@]1([C@@]([C@@]2([C@]([C@@]3(CC[C@@]4([C@@]([C@]3(CC2)[H])(CC[C@](O[Si](C(C)(C)C)(C)C)(C4)[H])C)[H])[H])(C1)[H])C)(C(C#N)C)[H])[H]
SPLASH splash10-0fb9-9000700000-e1812b2978194061e3b8
Source of Spectrum SK-28-4055-16
Wiley ID 880249