Dataset

Fraxin.noesy

Chemical Information

molecular Image
InChI InChI=1S/C16H18O10/c1-23-7-4-6-2-3-9(18)25-14(6)15(11(7)20)26-16-13(22)12(21)10(19)8(5-17)24-16/h2-4,8,10,12-13,16-17,19-22H,5H2,1H3/t8-,10-,12-,13+,16-/m1/s1
SMILES COC1=C(O)C(O[C@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)=C2OC(=O)C=CC2=C1
InChI Key CRSFLLTWRCYNNX-BKQKJWSFSA-N
Molecular Formula C16H18O10
Exact Mass 370.310 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p40.s232.d1339
License URL https://creativecommons.org/publicdomain/zero/1.0/legalcode
Source https://nmrxiv.org/D1339
Version
Author Philipp Drosky, Madlen Sander, Kazuhide Nakata, Hans‐Ullrich Siehl, Klaus‐Peter Zeller, Stefan Berger, Dieter Sicker
Maintainer
Language english
MetadataPublished 2023-12-21 16:23:13
Related Molecule
  • 7-hydroxy-6-methoxy-8-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
    • Field Value
    Measurement Technique n
    Measurement Variables
    NMR solvent : MeOD

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

    NMR spectrum by dimensionality : 2

    NMR probe : 5 mm CPTCI 1H-13C/15N/2H Z-GRD Z44908/0006

    Temperature : 300 K

    magnetic field strength : 16.444844184625595 Tesla

    number of scans : 8 scans

    nuclear magnetic resonance pulse sequence : noesygpph

    Spectral Width : [9.01640173495871, 9]

    number of data points : 7 points

    relaxation time measurement : 2 seconds

    Data-Source Molecule ID Data-Source
    25767091 PubChem
    ZINC000013424931 ZINC
    The data in this table is sourced from UniChem at EBI.