Dataset

Compound_5_YAC_4K Rhodacarpin[16]

A new secondary metabolite determined by NMR spectroscopic, mass spectrometric, and single-crystal X-ray diffractometric analyses.

Chemical Information

molecular Image
InChI InChI=1S/C21H20O6/c1-11(2)3-4-12-5-13-16(7-15(12)22)24-9-21(23)14-6-18-19(26-10-25-18)8-17(14)27-20(13)21/h3,5-8,20,22-23H,4,9-10H2,1-2H3
SMILES CC(C)=CCC1=C(O)C=C2OCC3(O)C4=C(C=C5OCOC5=C4)OC3C2=C1
InChI Key PXAZVNUCVWQGQR-UHFFFAOYSA-N

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p62.s429.d2183
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D2183
Version
Author Atilaw Y, Muiva-Mutisya L, Bogaerts J, Duffy S, Valkonen A, Heydenreich M, Avery VM, Rissanen K, Erdélyi M, Yenesew A.
Maintainer
Language english
MetadataPublished 2024-03-05T20:39:34.000000Z
Related Molecule
  • nfdi4chem-mol3480 (Unknown Molecule)
    • Field Value
    Measurement Technique heteronuclear single quantum coherence
    Measurement Variables
    NMR solvent : CDCl3

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

    NMR spectrum by dimensionality : 2

    NMR probe : 5 mm CPTXO 13C/15N-1H/D Z-GRD Z140404/0001

    Temperature : 298.0002 K

    magnetic field strength : 18.790826226708365 Tesla

    number of scans : 4 scans

    nuclear magnetic resonance pulse sequence : hsqcedetgpsisp2.4

    Spectral Width : [16.0242437015751, 180.085349883098]

    number of data points : 3 points

    relaxation time measurement : 1 seconds

    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.