Dataset

Artemisinin.hmbc

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-/m0/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-LJWSOQGGSA-N
Molecular Formula C15H22O5
Exact Mass 282.330 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p28.s181.d772
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D772
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 2023-12-21 14:06:49
Related Molecule
  • (1S,4R,5S,8R,9R,12R,13S)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-one
    • Field Value
    Measurement Technique heteronuclear multiple bond coherence
    Measurement Variables
    NMR solvent : CDCl3

    acquisition nucleus : ['1H', '13C']

    NMR spectrum by dimensionality : 2

    NMR probe : 5 mm TBI 1H/13C-BB Z-GRD Z5714/0002

    Temperature : 296.7 K

    magnetic field strength : 16.444844184625595 Tesla

    number of scans : 16 scans

    nuclear magnetic resonance pulse sequence : hmbcetgpl2nd.ber

    Spectral Width : [11.9815247414357, 200]

    number of data points : 14 points

    relaxation time measurement : 2 seconds

    Data-Source Molecule ID Data-Source
    95241550 PubChem
    The data in this table is sourced from UniChem at EBI.