Cinchonidine

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Systematic / IUPAC Name: (R)-[(2S,4S,5R)-5-Ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol

ID: Reference1209

Other Names: (-)-Cinchonidine;
Cinchovatine;
α-Quinidine;
(8S,9R)-Cinchonidine;
(8S,9R)-Cinchonan-9-ol

Formula: C19H22N2O

Class: Endogenous Metabolites

Spectral Data

Cinchonidine mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Elite; Q Exactive Orbitrap
No. of Spectral Trees 3
No. of Spectra 1393
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods ESI; APCI; NSI
Analyzers IT; FT
Last Modification 12/4/2014 3:27:33 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C19H22N2O/c1-2-13-12-21-10-8-14(13)11-18(21)19(22)16-7-9-20-17-6-4-3-5-15(16)17/h2-7,9,13-14,18-19,22H,1,8,10-12H2/t13-,14-,18-,19+/m0/s1
InChI Key KMPWYEUPVWOPIM-KODHJQJWSA-N
Canonical SMILES C=CC1CN2CCC1CC2C(C3=CC=NC4=CC=CC=C34)O
CAS 485712
Splash
Other Names (-)-Cinchonidine;
Cinchovatine;
α-Quinidine;
(8S,9R)-Cinchonidine;
(8S,9R)-Cinchonan-9-ol

In Other Databases

PubChem 101744
ChEBI CHEBI:3703
Wikipedia Cinchonidine
ChEMBL CHEMBL533841
KEGG C11379
ChemSpider 91930