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21.xi-Methyl-17-isocholestan-5-en-3,16-dione

View entire compound with spectra: 1 NMR

21.xi-Methyl-17-isocholestan-5-en-3,16-dione
SpectraBase Compound ID Lf314b7C5ms
InChI InChI=1S/C27H42O2/c1-17(2)7-6-8-18(3)25-24(29)16-23-21-10-9-19-15-20(28)11-13-26(19,4)22(21)12-14-27(23,25)5/h9,17-18,21-23,25H,6-8,10-16H2,1-5H3
InChIKey ITUFROVSFDLLJK-UHFFFAOYSA-N
Mol Weight 398.6 g/mol
Molecular Formula C27H42O2
Exact Mass 398.318481 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 85faPs1pI6I
Name 21.xi-Methyl-17-isocholestan-5-en-3,16-dione
Comments Computed using HOSE algorithm
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Exact Mass 398.318480590 u
Formula C27H42O2
InChI InChI=1S/C27H42O2/c1-17(2)7-6-8-18(3)25-24(29)16-23-21-10-9-19-15-20(28)11-13-26(19,4)22(21)12-14-27(23,25)5/h9,17-18,21-23,25H,6-8,10-16H2,1-5H3
InChIKey ITUFROVSFDLLJK-UHFFFAOYSA-N
Molecular Weight 398.631 g/mol
SMILES C1(CCC2(C(C1)=CCC1C2CCC2(C1CC(C2C(C)CCCC(C)C)=O)C)C)=O