(-)-Strychnine

enlarge

Systematic / IUPAC Name: (4aR,5aS,8aR,13aS,15aS,15bR)-4a,5,5a,7,8,13a,15,15a,15b,16-Decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-H]quinoline-14-one

ID: Reference1278

Other Names: Strychnine;
Strychnidin-10-one;
(4aR,4a1R,5aS,8aR,8a1S,15aS)-4a1,5,5a,7,8,8a1,15,15a-Octahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-H]quinolin-14(4aH)-one

Formula: C21H22N2O2

Class: Pesticides/Herbicides

Spectral Data

(-)-Strychnine 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 Q Exactive Orbitrap; Q Exactive Plus Orbitrap
No. of Spectral Trees 2
No. of Spectra 116
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 2/9/2015 11:11:30 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C21H22N2O2/c24-18-10-16-19-13-9-17-21(6-7-22(17)11-12(13)5-8-25-16)14-3-1-2-4-15(14)23(18)20(19)21/h1-5,13,16-17,19-20H,6-11H2/t13-,16-,17-,19-,20-,21+/m0/s1
InChI Key QMGVPVSNSZLJIA-FVWCLLPLSA-N
Canonical SMILES C1CN2CC3=CCOC4CC(=O)N5C6C4C3CC2C61C7=CC=CC=C75
CAS 57249
Splash
Other Names Strychnine;
Strychnidin-10-one;
(4aR,4a1R,5aS,8aR,8a1S,15aS)-4a1,5,5a,7,8,8a1,15,15a-Octahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-H]quinolin-14(4aH)-one

In Other Databases

PubChem 441071
ChEMBL CHEMBL227934
ChemSpider 389877
Wikipedia Strychnine
ChEBI CHEBI:28973
KEGG C06522