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Cholestane, 3,4-epoxy-2-methyl-, (2.alpha.,3.alpha.,4.alpha.,5.alpha.)-
SpectraBase Compound ID CX0qBIEHi5T
InChI InChI=1S/C28H48O/c1-17(2)8-7-9-18(3)21-12-13-22-20-10-11-24-26-25(29-26)19(4)16-28(24,6)23(20)14-15-27(21,22)5/h17-26H,7-16H2,1-6H3
InChIKey SHFATTXZPODCPH-UHFFFAOYSA-N
Mol Weight 400.7 g/mol
Molecular Formula C28H48O
Exact Mass 400.370516 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EryYUo7SsdY
Name Cholestane, 3,4-epoxy-2-methyl-, (2.alpha.,3.alpha.,4.alpha.,5.alpha.)-
Comments Computed using HOSE algorithm
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Exact Mass 400.370516165 u
Formula C28H48O
InChI InChI=1S/C28H48O/c1-17(2)8-7-9-18(3)21-12-13-22-20-10-11-24-26-25(29-26)19(4)16-28(24,6)23(20)14-15-27(21,22)5/h17-26H,7-16H2,1-6H3
InChIKey SHFATTXZPODCPH-UHFFFAOYSA-N
Molecular Weight 400.691 g/mol
SMILES CC12C(C3C(C(C2)C)O3)CCC2C1CCC1(C2CCC1C(CCCC(C)C)C)C