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Cholest-3-eno-[3,4-b]pyridine, 6'-pyrrolidin-1-yl-

View entire compound with spectra: 3 MS (GC)

Cholest-3-eno-[3,4-b]pyridine, 6'-pyrrolidin-1-yl-
SpectraBase Compound ID DJjB9A4Nobf
InChI InChI=1S/C34H54N2/c1-23(2)9-8-10-24(3)27-14-15-28-25-11-13-29-26-12-16-32(36-21-6-7-22-36)35-31(26)18-20-34(29,5)30(25)17-19-33(27,28)4/h12,16,23-25,27-30H,6-11,13-15,17-22H2,1-5H3
InChIKey PVCCPDGFJCXWDE-UHFFFAOYSA-N
Mol Weight 490.8 g/mol
Molecular Formula C34H54N2
Exact Mass 490.4287 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EgV0XDLJlf9
Name 9-(1,5-DIMETHYLHEXYL)-6A,8A-DIMETHYL-3-(1-PYRROLIDINYL)-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 490.428699747 u
Formula C34H54N2
InChI InChI=1S/C34H54N2/c1-23(2)9-8-10-24(3)27-14-15-28-25-11-13-29-26-12-16-32(36-21-6-7-22-36)35-31(26)18-20-34(29,5)30(25)17-19-33(27,28)4/h12,16,23-25,27-30H,6-11,13-15,17-22H2,1-5H3
InChIKey PVCCPDGFJCXWDE-UHFFFAOYSA-N
Molecular Weight 490.820 g/mol
Nominal Mass 490 u
Number of Peaks 357
SMILES c1(nc2CCC3(C(c2cc1)CCC1C2C(CCC31)(C(CC2)C(CCCC(C)C)C)C)C)N1CCCC1
SPLASH splash10-0006-8520900000-e0a5cb33f20328261bf0
Source File Reference LMCM-65810-673M
Synonyms 1,5-dimethyl-6-(6-methylheptan-2-yl)-17-(pyrrolidin-1-yl)-18-azapentacyclo[11.8.0.0(2,10).0(5,9).0(14,19)]henicosa-14(19),15,17-triene
Wiley ID 8_8138