Dataset

Galantamine.cosy

Chemical Information

molecular Image
InChI InChI=1S/C17H21NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3/t12-,14-,17-/m0/s1
SMILES COC1=CC=C2CN(C)CC[C@@]34C=C[C@H](O)C[C@@H]3OC1=C24
InChI Key ASUTZQLVASHGKV-JDFRZJQESA-N
Molecular Formula C17H21NO3
Exact Mass 287.350 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p42.s253.d1467
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D1467
Version
Author Peter Spiteller
Maintainer
Language english
MetadataPublished 2023-12-24 21:57:47
Related Molecule
  • (1S,12S,14R)-9-methoxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-14-ol
    • Field Value
    Measurement Technique correlation spectroscopy
    Measurement Variables
    NMR solvent : CDCl3

    acquisition nucleus : ['1H', '1H']

    NMR spectrum by dimensionality : 2

    NMR probe : 5 mm TBI 1H/13C-BB-D Z-GRD LTB Z5623/001

    Temperature : 298 K

    magnetic field strength : 14.095010340939984 Tesla

    number of scans : 8 scans

    nuclear magnetic resonance pulse sequence : cosygpmfph

    Spectral Width : [8.01105393522767, 7.99951617151875]

    number of data points : 3 points

    relaxation time measurement : 1 seconds

    Data-Source Molecule ID Data-Source
    DB00674 drugbank
    GNT rcsb_pdb
    CHEMBL659 chembl
    2577 surechembl
    29379520 surechembl
    9651 pubchem
    0D3Q044KCA fdasrs
    1T835Z585R fdasrs
    PD001452 probes_and_drugs
    SIBHAM CCDC
    138752 brenda
    1391 brenda
    17243 brenda
    25855 brenda
    70637 brenda
    HMDB0014812 hmdb
    Molport-002-521-885 molport
    1272 drugcentral
    10404 bindingdb
    The data in this table is sourced from UniChem at EBI.