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25-Hydroxycholesterol, tms derivative

View entire compound with spectra: 1 NMR

25-Hydroxycholesterol, tms derivative
SpectraBase Compound ID 58vQxIv0k54
InChI InChI=1S/C30H54O2Si/c1-21(10-9-17-28(2,3)31)25-13-14-26-24-12-11-22-20-23(32-33(6,7)8)15-18-29(22,4)27(24)16-19-30(25,26)5/h11,21,23-27,31H,9-10,12-20H2,1-8H3
InChIKey QZBSLRVZFXHOIY-UHFFFAOYSA-N
Mol Weight 474.8 g/mol
Molecular Formula C30H54O2Si
Exact Mass 474.389308 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DZi1hAQwSKh
Name 25-Hydroxycholesterol, tms derivative
Comments Computed using HOSE algorithm
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Exact Mass 474.389307512 u
Formula C30H54O2Si
InChI InChI=1S/C30H54O2Si/c1-21(10-9-17-28(2,3)31)25-13-14-26-24-12-11-22-20-23(32-33(6,7)8)15-18-29(22,4)27(24)16-19-30(25,26)5/h11,21,23-27,31H,9-10,12-20H2,1-8H3
InChIKey QZBSLRVZFXHOIY-UHFFFAOYSA-N
Molecular Weight 474.845 g/mol
SMILES C12(CCC(CC2=CCC2C1CCC1(C2CCC1C(CCCC(O)(C)C)C)C)O[Si](C)(C)C)C