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9-Epiquinine

View entire compound with spectra: 53 NMR, and 3 MS (GC)

9-Epiquinine
SpectraBase Compound ID 3gErgpm9sHM
InChI InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3
InChIKey LOUPRKONTZGTKE-UHFFFAOYSA-N
Mol Weight 324.42 g/mol
Molecular Formula C20H24N2O2
Exact Mass 324.183778 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KWAKHlLI6dT
Name Quinine
CAS Registry Number 56-54-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H24N2O2
InChI InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3
InChIKey LOUPRKONTZGTKE-UHFFFAOYSA-N
Molecular Weight 324.424 g/mol
SMILES OC(c1c2c(ccc(c2)OC)ncc1)C1CC2C(CN1CC2)C=C
SPLASH splash10-000i-4900000000-c5fece0e9028dc73bf30
Synonyms (+)-Quindine Cinchonan-9-ol, 6'-methoxy-, (8.alpha.,9R)- 6'-Methoxycinchonan-9-ol (+)-Quinidine (-)-Quinine (5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxy-4-quinolinyl)methanol (5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methanol (6-methoxy-4-quinolyl)-(5-vinylquinuclidin-2-yl)methanol (8-alpha,9R)-6'-methoxycinchonan-9-ol (8.alpha.,9R)-6'-methoxycinchonan-9-ol (8R,9S)-6'-Methoxycinchonan-9-ol (8S,9R)-6'-Methoxycinchonan-9-ol (8S,9R)-Quinine (9S)-6'-Methoxycinchonan-9-ol .alpha.-(6-Methoxy-4-quinolyl)-5-vinyl-2-quinuclidinemethanol .alpha.-(6-methoxy-4-quinoyl)-5-vinyl-2-quinclidinemethanol .beta.-Quinidine .beta.-Quinine 2-Quinuclidinemethanol, .alpha.-(6-methoxy-4-quinolyl)-5-vinyl- 6'-Methoxycinchonidine 6'-Methoxycinchonine 6-Methoxy-.alpha.-(5-vinyl-2-quinuclidinyl)-4-quinolinemethanol 6-Methoxycinchonine Aflukin Biquinate (*bisulfate heptathydrate*) Cardioquin Chinidin Chinin Chinine Cin-quin Cinchonan-9-ol, 6'-methoxy- Cinchonan-9-ol, 6'-methoxy-, (8-alpha,9R)- Cinchonan-9-ol, 6'-methoxy-, (8.alpha.,9R)-, sulfate Cinchonan-9-ol, 6'-methoxy-, (9S)- Coco-quinine Conchinin Conchinine Conquinine Dentojel (*bisulfate heptathydrate*) Kinidin Pitayin Pitayine Quinaglute Quinamm (*2:1 sulfate salt*), dihydrate Quindine Quine (*2:1 sulfate salt*, dihydrate) Quinicardine Quinidex Quinidine Quinine anhydrous Quinoline alkaloid Quinsan (*2:1 sulfate salt*), dihydrate CCRIS 5755 EINECS 205-003-2 HSDB 2501 NCI-C56246 NSC 192949 NSC 5362
Wiley ID 1491818