Dataset

Colchicin[6]

This dataset contains NMR spectra obtained for the sample containing Colchicin

Chemical Information

molecular Image
InChI InChI=1S/C22H25NO6/c1-12(24)23-16-8-6-13-10-19(27-3)21(28-4)22(29-5)20(13)14-7-9-18(26-2)17(25)11-15(14)16/h7,9-11,16H,6,8H2,1-5H3,(H,23,24)/t16-/m1/s1
SMILES COC1=C(OC)C(OC)=C2C(=C1)CC[C@H](NC(C)=O)C1=CC(=O)C(OC)=CC=C12
InChI Key IAKHMKGGTNLKSZ-MRXNPFEDSA-N
Exact Mass 399.400 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p27.s1277.d5533
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D5533
Version
Author Johannes Appun, Hans-Ullrich Siehl, Klaus-Peter Zeller, Katrin Steinke, Stefan Berger, Dieter Sicker
Maintainer
Language english
MetadataPublished 2025-08-27T09:24:39.000000Z
Related Molecule
  • N-[(7R)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide
    • 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
    CHEMBL330320 ChEMBL
    51074 ChEBI
    PALYOQ CCDC
    J36.681A Nikkaji
    DTXSID60226466 EPA CompTox Dashboard
    53278 PubChem
    60065938 NMRShiftDB
    75520-89-7 ACToR
    SCHEMBL15521905 SureChEMBL
    MTBLC51074 Metabolights
    ZINC000000607790 ZINC
    The data in this table is sourced from UniChem at EBI.