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(-)-O-Cinnamoylcinchonine
SpectraBase Compound ID INnHvGZCKk1
InChI InChI=1S/C28H28N2O2/c1-2-21-19-30-17-15-22(21)18-26(30)28(24-14-16-29-25-11-7-6-10-23(24)25)32-27(31)13-12-20-8-4-3-5-9-20/h2-14,16,21-22,26,28H,1,15,17-19H2/b13-12+/t21-,22-,26+,28-/m0/s1
InChIKey YYSHDILSTXGBCT-YSIFFSOGSA-N
Mol Weight 424.54 g/mol
Molecular Formula C28H28N2O2
Exact Mass 424.215078 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HGvbByA7vFk
Name (-)-O-Cinnamoylcinchonine
Alternate Name(s) (9S)-cinchonan-9-yl (2E)-3-phenyl-2-propenoate (E)-3-phenyl-2-propenoic acid[(S)-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(4-quinolinyl)methyl]ester (E)-3-phenylacrylic acid[(S)-4-quinolyl-[(2R,4S,5R)-5-vinylquinuclidin-2-yl]methyl]ester [(S)-4-quinolyl-[(2R,4S,5R)-5-vinylquinuclidin-2-yl]methyl](E)-3-phenylprop-2-enoate [(S)-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-yl-methyl](E)-3-phenylprop-2-enoate (E)-3-phenyl-2-propenoic acid [(S)-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(4-quinolinyl)methyl] ester [(S)-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethyl] (E)-3-phenylprop-2-enoate [(S)-4-quinolyl-[(2R,4S,5R)-5-vinylquinuclidin-2-yl]methyl] (E)-3-phenylprop-2-enoate [(S)-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-yl-methyl] (E)-3-phenylprop-2-enoate
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Formula C28H28N2O2
InChI InChI=1S/C28H28N2O2/c1-2-21-19-30-17-15-22(21)18-26(30)28(24-14-16-29-25-11-7-6-10-23(24)25)32-27(31)13-12-20-8-4-3-5-9-20/h2-14,16,21-22,26,28H,1,15,17-19H2/b13-12+/t21-,22-,26+,28-/m0/s1
InChIKey YYSHDILSTXGBCT-YSIFFSOGSA-N
Molecular Weight 424.544 g/mol
SMILES [C@@]1(N2CC[C@](C1)([H])[C@](C2)(C=C)[H])([C@](c1c2c(cccc2)ncc1)(OC(\C=C\c1ccccc1)=O)[H])[H]
SPLASH splash10-000i-0900000000-6e7ea7d2115cb167a53e
Source of Spectrum KC-0-1967-11
Wiley ID 784141