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Cholestane, 3-(methoxymethoxy)-, (3.beta.,5.alpha.)-

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Cholestane, 3-(methoxymethoxy)-, (3.beta.,5.alpha.)-
SpectraBase Compound ID FTbn8BsIi2c
InChI InChI=1S/C29H52O2/c1-20(2)8-7-9-21(3)25-12-13-26-24-11-10-22-18-23(31-19-30-6)14-16-28(22,4)27(24)15-17-29(25,26)5/h20-27H,7-19H2,1-6H3
InChIKey GEASSRHRPWOXPW-UHFFFAOYSA-N
Mol Weight 432.7 g/mol
Molecular Formula C29H52O2
Exact Mass 432.396731 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KPpGbSIRCMW
Name Cholestane, 3-(methoxymethoxy)-, (3.beta.,5.alpha.)-
Comments Computed using HOSE algorithm
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Exact Mass 432.396730912 u
Formula C29H52O2
InChI InChI=1S/C29H52O2/c1-20(2)8-7-9-21(3)25-12-13-26-24-11-10-22-18-23(31-19-30-6)14-16-28(22,4)27(24)15-17-29(25,26)5/h20-27H,7-19H2,1-6H3
InChIKey GEASSRHRPWOXPW-UHFFFAOYSA-N
Molecular Weight 432.733 g/mol
SMILES C[C@]12[C@@]3([C@]([C@]4([C@@](CC3)(C)[C@@]([C@@](CCCC(C)C)(C)[H])(CC4)[H])[H])(CC[C@]2(C[C@](CC1)(OCOC)[H])[H])[H])[H]