Dataset

Cantharidin[5]

This dataset contains NMR spectra obtained for the sample containing Cantharidin

Chemical Information

molecular Image
InChI InChI=1S/C10H12O4/c1-9-5-3-4-6(13-5)10(9,2)8(12)14-7(9)11/h5-6H,3-4H2,1-2H3/t5-,6+,9+,10-
SMILES C[C@@]12C(=O)OC(=O)[C@]1(C)[C@H]1CC[C@@H]2O1
InChI Key DHZBEENLJMYSHQ-XCVPVQRUSA-N
Exact Mass 196.200 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p54.s1292.d5629
License URL https://creativecommons.org/licenses/by-nd/4.0/legalcode
Source https://nmrxiv.org/D5629
Version
Author Anna Rudo, Hans‐Ullrich Siehl, Klaus‐Peter Zeller, Stefan Berger, Dieter Sicker
Maintainer
Language english
MetadataPublished 2025-08-31T12:39:29.000000Z
Related Molecule
  • (1S,2R,6S,7R)-2,6-dimethyl-4,10-dioxatricyclo[5.2.1.02,6]decane-3,5-dione
    • 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
    DB12328 drugbank
    CHEBI:64213 chebi
    CHEMBL48449 chembl
    152262 surechembl
    31628232 surechembl
    5944 pubchem
    IGL471WQ8P fdasrs
    PD011789 probes_and_drugs
    CANDIN CCDC
    123061 brenda
    232713 brenda
    7414 brenda
    Molport-003-983-935 molport
    50090505 bindingdb
    The data in this table is sourced from UniChem at EBI.