Dataset

Ohauamine D CDCl3[5]

Chemical Information

molecular Image
InChI InChI=1S/C19H23N3O4/c1-4-11(2)19-16(24)21-18(10-13-8-6-5-7-9-13)17(25)26-12(3)14(22(18)19)15(23)20-19/h5-9,11-12,14H,4,10H2,1-3H3,(H,20,23)(H,21,24)/t11-,12+,14-,18+,19+/m0/s1
SMILES CC[C@H](C)[C@]12NC(=O)[C@@H]3[C@@H](C)OC(=O)[C@](CC4=CC=CC=C4)(NC1=O)N32
InChI Key OEFZLDAPYSPGDH-WKHVUYTFSA-N

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p87.s733.d3624
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D3624
Version
Author
Maintainer
Language english
MetadataPublished 2024-12-19T01:06:40.000000Z
Related Molecule
  • nfdi4chem-mol8115 (Unknown Molecule)
    • Field Value
    Measurement Technique heteronuclear multiple bond coherence
    Measurement Variables
    NMR solvent : CDCl3

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

    NMR spectrum by dimensionality : 2

    NMR probe : Z44896_0057 (CP TCI 600S3 H-C/N-D-05 Z)

    Temperature : 293.0013 K

    magnetic field strength : 14.095949804745555 Tesla

    number of scans : 30 scans

    nuclear magnetic resonance pulse sequence : hmbcgplpndqf

    Spectral Width : [19.8355505627572, 189.999995900611]

    number of data points : 12 points

    relaxation time measurement : 1 seconds

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