Dataset

D-mohammed-EAF-50-c13[10]

This dataset contains NMR spectra obtained for the sample -D-mohammed-EAF-50-c13 Nucleus: 13C NMR Solvent: MeOD NMR Probe: 5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0665 NMR Pulse Sequence: aptjmod Temperature: 298.1471 Observed Frequency: 100.612768526 Magnetic Field Strength: 9.396259966674501 Number of Scans: 3000 NMR Pulse Sequence: jmod Spectral Width: 238.896695566596 Number of Data Points: 65536 Relaxation Delay: 2 Observed Frequency: 100.622829802853

Chemical Information

molecular Image
InChI InChI=1S/C27H30O16/c28-7-14-17(32)20(35)22(37)26(41-14)39-11-5-12(31)16-13(6-11)40-24(9-1-3-10(30)4-2-9)25(19(16)34)43-27-23(38)21(36)18(33)15(8-29)42-27/h1-6,14-15,17-18,20-23,26-33,35-38H,7-8H2/t14-,15-,17-,18-,20+,21+,22-,23-,26-,27+/m1/s1
SMILES O=C1C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C(C2=CC=C(O)C=C2)OC2=CC(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=CC(O)=C12
InChI Key XFFQVRFGLSBFON-DEFKTLOSSA-N

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p167.s1762.d7758
License URL
Source https://nmrxiv.org/D7758
Version
Author
Maintainer
Language english
MetadataPublished 2026-03-21T17:47:28.000000Z
Related Molecule
  • 5-hydroxy-2-(4-hydroxyphenyl)-3,7-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]chromen-4-one
    • Field Value
    Measurement Technique aptjmod
    Measurement Variables
    NMR solvent : MeOD

    acquisition nucleus : ['13C']

    NMR spectrum by dimensionality : 1

    NMR probe : 5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0665

    Temperature : 298.1471 K

    magnetic field strength : 9.396259966674501 Tesla

    number of scans : 3000 scans

    nuclear magnetic resonance pulse sequence : jmod

    Spectral Width : 238.896695566596

    number of data points : 65536 points

    relaxation time measurement : 2 seconds

    Data-Source Molecule ID Data-Source
    CHEBI:133224 chebi
    LMPK12111738 lipidmaps
    CHEMBL2206209 chembl
    29453024 surechembl
    6325460 pubchem
    1SL009I82F fdasrs
    PD222461 probes_and_drugs
    124771 brenda
    129150 brenda
    DTXSID601311270 comptox
    Molport-047-585-520 molport
    The data in this table is sourced from UniChem at EBI.