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8-[(TERT.-BUTYLDIMETHYLSILYL)-OXY]-DE-A,B-23,24-DINORCHOLAN-22-AL
SpectraBase Compound ID FmLn3q2Qgx6
InChI InChI=1S/C19H36O2Si/c1-14(13-20)15-10-11-16-17(9-8-12-19(15,16)5)21-22(6,7)18(2,3)4/h13-17H,8-12H2,1-7H3/t14-,15-,16+,17+,19-/m1/s1
InChIKey MXNJFBSSSXPEGS-QLCXLMDBSA-N
Mol Weight 324.6 g/mol
Molecular Formula C19H36O2Si
Exact Mass 324.248457 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AUWyUwIVMfA
Name (20S)-de-A,B-8.beta.-(tert-butyldimethylsilyl)oxy-20-formylpregnane
Appearance Oil
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Formula C19H36O2Si
InChI InChI=1S/C19H36O2Si/c1-14(13-20)15-10-11-16-17(9-8-12-19(15,16)5)21-22(6,7)18(2,3)4/h13-17H,8-12H2,1-7H3/t14-,15-,16+,17+,19-/m1/s1
InChIKey MXNJFBSSSXPEGS-QLCXLMDBSA-N
Ionization Type EI
Molecular Weight 324.580 g/mol
Optical Rotation [a]D = +43.8 (c = 1.31, CHCl3)
SMILES C1C[C@](O[Si](C(C)(C)C)(C)C)([C@]2([H])CC[C@]([C@@](C=O)(C)[H])([C@@]2(C)C1)[H])[H]
SPLASH splash10-004i-5920000000-cf0e103867a1683ea4a1
Source of Spectrum US8030295B2
Wiley ID 1844475