Dataset

Strychnine[6]

This dataset contains NMR spectra obtained for the sample containing Strychnine

Chemical Information

molecular Image
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
SMILES O=C1C[C@H]2OCC=C3CN4CC[C@@]56C7=CC=CC=C7N1[C@@H]5[C@@H]2[C@@H]3C[C@@H]46
InChI Key QMGVPVSNSZLJIA-FVWCLLPLSA-N
Molecular Formula C21H22N2O2
Exact Mass 334.400 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p42.s1304.d5716
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D5716
Version
Author Peter Spiteller
Maintainer
Language english
MetadataPublished 2025-08-31T17:42:30.000000Z
Related Molecule
  • (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]quinolin-14-one
    • Field Value
    Measurement Technique
    Measurement Variables
    NMR solvent :

    acquisition nucleus :

    NMR spectrum by dimensionality :

    NMR probe :

    Temperature : K

    magnetic field strength : Tesla

    number of scans : scans

    nuclear magnetic resonance pulse sequence :

    Spectral Width :

    number of data points : points

    relaxation time measurement : seconds

    Data-Source Molecule ID Data-Source
    DB15954 drugbank
    CHEBI:28973 chebi
    SY9 rcsb_pdb
    CHEMBL227934 chembl
    14029424 surechembl
    93798 surechembl
    441071 pubchem
    H9Y79VD43J fdasrs
    SY9 pdbe
    PD014394 probes_and_drugs
    ZZZUEE CCDC
    252948 brenda
    2484 drugcentral
    50225707 bindingdb
    The data in this table is sourced from UniChem at EBI.