Dataset

6NFB003_Gladiofungin_A[12]

6NFB003_Gladiofungin_A

Chemical Information

molecular Image
InChI InChI=1S/C27H39NO8/c1-17(22(31)16-20(29)13-19-14-23(32)28-24(33)15-19)11-9-7-5-3-4-6-8-10-12-21(30)25-18(2)26(34)36-27(25)35/h9,11,17,19-20,26,29,34H,3-8,10,12-16H2,1-2H3,(H,28,32,33)/b11-9+
SMILES CC1=C(C(=O)CCCCCCCC/C=C/C(C)C(=O)CC(O)CC2CC(=O)NC(=O)C2)C(=O)OC1O
InChI Key SYADJZZKJSIWKK-PKNBQFBNSA-N
Molecular Formula C27H39NO8
Exact Mass 505.600 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p5.s39.d98
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D98
Version
Author Dose B, Niehs SP, Scherlach K, Shahda S, Flórez LV, Kaltenpoth M, Hertweck C.
Maintainer
Language english
MetadataPublished 2022-10-27T15:09:20.000000Z
Related Molecule
  • 4-[(E)-2-hydroxy-16-(2-hydroxy-3-methyl-5-oxo-2H-furan-4-yl)-5-methyl-4,16-dioxohexadec-6-enyl]piperidine-2,6-dione
    • Field Value
    Measurement Technique distortionless enhancement with polarization transfer
    Measurement Variables
    NMR solvent : CD3CN

    acquisition nucleus : ['13C']

    NMR spectrum by dimensionality : 1

    NMR probe : 5 mm CPTCI 1H-13C/15N/D Z-GRD Z75812/0049

    Temperature : 300 K

    magnetic field strength : 14.095295271290505 Tesla

    number of scans : 4096 scans

    nuclear magnetic resonance pulse sequence : deptsp135

    Spectral Width : 220.818026914581

    number of data points : 16 points

    relaxation time measurement : 4 seconds

    Data-Source Molecule ID Data-Source
    70118045 NMRShiftDB
    156582308 PubChem
    The data in this table is sourced from UniChem at EBI.