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21-Methyl-17-isocholestane 16-[2-[formylthio]ethyl]-

View entire compound with spectra: 1 NMR, and 1 FTIR

21-Methyl-17-isocholestane 16-[2-[formylthio]ethyl]-
SpectraBase Compound ID D3ixH0SovC0
InChI InChI=1S/C30H52OS/c1-21(2)9-8-10-22(3)28-23(15-18-32-20-31)19-27-25-13-12-24-11-6-7-16-29(24,4)26(25)14-17-30(27,28)5/h20-28H,6-19H2,1-5H3
InChIKey HZNPROVOIJSYKR-UHFFFAOYSA-N
Mol Weight 460.8 g/mol
Molecular Formula C30H52OS
Exact Mass 460.373887 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8UN9Ta2khHU
Name 21-Methyl-17-isocholestane 16-[2-[formylthio]ethyl]-
Comments Computed using HOSE algorithm
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Exact Mass 460.373887467 u
Formula C30H52OS
InChI InChI=1S/C30H52OS/c1-21(2)9-8-10-22(3)28-23(15-18-32-20-31)19-27-25-13-12-24-11-6-7-16-29(24,4)26(25)14-17-30(27,28)5/h20-28H,6-19H2,1-5H3
InChIKey HZNPROVOIJSYKR-UHFFFAOYSA-N
Molecular Weight 460.805 g/mol
SMILES C1CCC2(C(C1)CCC1C2CCC2(C1CC(C2C(C)CCCC(C)C)CCSC=O)C)C