Dataset

YAC_4A (Compound 13) Tephrosin.noesy

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

Chemical Info

molecular Image
InChI InChI=1S/C23H22O7/c1-22(2)8-7-12-15(30-22)6-5-13-20(12)29-19-11-28-16-10-18(27-4)17(26-3)9-14(16)23(19,25)21(13)24/h5-10,19,25H,11H2,1-4H3/t19-,23-/m1/s1
SMILES COC1=C(OC)C=C2C(=C1)OC[C@H]1OC3=C(C=CC4=C3C=CC(C)(C)O4)C(=O)[C@@]21O
InChI Key AQBZCCQCDWNNJQ-AUSIDOKSSA-N

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p62.s427.d2165
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D2165
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
MetadataCreated 2024-04-22T16:49:00.237070
MetadataModified 2024-05-15T09:27:46.725933
MetadataPublished 2024-03-05 20:39:34
Field Value
Measurement Technique noesy
Measurement Variables
NMR solvent : CDCl3

acquisition nucleus : 1H , 1H

NMR spectrum by dimensionality : 2

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

Temperature : 298.0007 K

irradiation frequency : 800.066 MHz , 800.066 MHz

magnetic field strength : 18.790826226708365 Tesla

number of scans : 2 scans

nuclear magnetic resonance pulse sequence : noesygpph

Spectral Width : 20.0303046547585 , 20.0303046547585

number of data points : 3 points

relaxation time measurement : 2.5 seconds