Dataset

Artemisinin[4]

This dataset contains NMR spectra obtained for the sample containing Artemisinin

Chemical Information

molecular Image
InChI InChI=1S/C15H22O5/c1-8-4-5-11-9(2)12(16)17-13-15(11)10(8)6-7-14(3,18-13)19-20-15/h8-11,13H,4-7H2,1-3H3/t8-,9+,10+,11+,13-,14-,15-/m1/s1
SMILES C[C@H]1CC[C@@H]2[C@@H](C)C(=O)O[C@H]3O[C@]4(C)CC[C@H]1[C@@]32OO4
InChI Key BLUAFEHZUWYNDE-DWIPZSBTSA-N
Exact Mass 282.330 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p28.s1278.d5537
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D5537
Version
Author Katrin Eckhardt, Prof. Dr. Klaus-Peter Zeller, Prof. Dr. Hans-Ullrich Siehl, Prof. Dr. Stefan Berger, Prof. Dr. Dieter Sicker
Maintainer
Language english
MetadataPublished 2025-08-27T09:37:56.000000Z
Related Molecule
  • (1R,4S,5R,8S,9S,12S,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-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
    0474Z7MDH1 FDA SRS
    WIMMEK CCDC
    ZINC000000338293 ZINC
    J570.370K Nikkaji
    DTXSID70356309 EPA CompTox Dashboard
    821423 PubChem
    CHEMBL2111908 ChEMBL
    15418294 PubChem: Thomson Pharma
    The data in this table is sourced from UniChem at EBI.