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Cholest-3-eno[3,4-b]pyridine, 2'-methoxy-
SpectraBase Compound ID JxyVoxxhVzH
InChI InChI=1S/C31H49NO/c1-20(2)8-7-9-21(3)24-13-14-25-22-10-12-26-23-11-15-29(33-6)32-28(23)17-19-31(26,5)27(22)16-18-30(24,25)4/h11,15,20-22,24-27H,7-10,12-14,16-19H2,1-6H3
InChIKey PQZKPHUJGNZFAL-UHFFFAOYSA-N
Mol Weight 451.7 g/mol
Molecular Formula C31H49NO
Exact Mass 451.381415 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID jLsw4JtqCb
Name
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Formula C31H49NO
InChI InChI=1S/C31H49NO/c1-20(2)8-7-9-21(3)24-13-14-25-22-10-12-26-23-11-15-29(33-6)32-28(23)17-19-31(26,5)27(22)16-18-30(24,25)4/h11,15,20-22,24-27H,7-10,12-14,16-19H2,1-6H3
InChIKey PQZKPHUJGNZFAL-UHFFFAOYSA-N
Molecular Weight 451.3802
SMILES C12CCC3(C(CCC3C1CCC1c3ccc(OC)nc3CCC21C)C(CCCC(C)C)C)C
SPLASH splash10-0udi-5911600000-fbc9c84a46f5abad3ab0
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany