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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 AWQOw2Essyv
Name 9-(1,5-DIMETHYLHEXYL)-3-METHOXY-6A,8A-DIMETHYL-6,6A,6B,7,8,8A,9,10,11,11A,11B,12,13,13A-TETRADECAHYDRO-5H-CYCLOPENTA[5,6]NAPHTHO[2,1-F]QUINOLINE
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Exact Mass 451.381415201 u
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 451.739 g/mol
Nominal Mass 451 u
Number of Peaks 222
SMILES c1(nc2CCC3(C(c2cc1)CCC1C2C(CCC31)(C(CC2)C(CCCC(C)C)C)C)C)OC
SPLASH splash10-0udi-5911600000-fbc9c84a46f5abad3ab0
Source File Reference LMCM-18459-636V
Synonyms 17-methoxy-1,5-dimethyl-6-(6-methylheptan-2-yl)-18-azapentacyclo[11.8.0.0(2,10).0(5,9).0(14,19)]henicosa-14(19),15,17-triene 9-(1,5-DIMETHYLHEXYL)-6A,8A-DIMETHYL-6,6A,6B,7,8,8A,9,10,11,11A,11B,12,13,13A-TETRADECAHYDRO-5H-CYCLOPENTA[5,6]NAPHTHO[2,1-F]QUINOLIN-3-YL METHYL ETHER
Wiley ID 8_8149