Dataset

Versilulin D[14]

This dataset contains NMR spectra obtained for the sample -Versilulin D Nucleus: 1H NMR Solvent: DMSO NMR Probe: Z114607_0205 (PA BBO 600S3 BBF-H-D-05 Z SP) NMR Pulse Sequence: 1d Temperature: 297.9985 Observed Frequency: 600.13 Magnetic Field Strength: 14.095010308659894 Number of Scans: 16 NMR Pulse Sequence: zg30 Spectral Width: 20.0275882741182 Number of Data Points: 65536 Relaxation Delay: 1 Observed Frequency: 600.133705802 Nucleus: 1H,1H NMR Solvent: DMSO NMR Probe: Z114607_0205 (PA BBO 600S3 BBF-H-D-05 Z SP) NMR Pulse Sequence: cosy Temperature: 297.9981 Observed Frequency: 600.13,600.13 Magnetic Field Strength: 14.095010308659894 Number of Scans: 24 NMR Pulse Sequence: cosygpmfqf Spectral Width: 13.0179323781687,12.9976235913073 Number of Data Points: 2048,128 Relaxation Delay: 2 Observed Frequency: 600.13370580275,600.13370580275 Nucleus: 1H,13C NMR Solvent: DMSO NMR Probe: Z114607_0205 (PA BBO 600S3 BBF-H-D-05 Z SP) NMR Pulse Sequence: hsqc Temperature: 297.9868 Observed Frequency: 600.13,150.902808526 Magnetic Field Strength: 14.095010308659894 Number of Scans: 8 NMR Pulse Sequence: hsqcetgpsisp2.2 Spectral Width: 13.0179323781687,230.073586345515 Number of Data Points: 1024,256 Relaxation Delay: 2 Observed Frequency: 600.13370580275,150.917898806853 Nucleus: 1H,13C NMR Solvent: DMSO NMR Probe: Z114607_0205 (PA BBO 600S3 BBF-H-D-05 Z SP) NMR Pulse Sequence: hmbc Temperature: 297.9996 Observed Frequency: 600.13,150.902808526 Magnetic Field Strength: 14.095010308659894 Number of Scans: 64 NMR Pulse Sequence: hmbcgpndqf Spectral Width: 15.0206863238864,240.07438524804 Number of Data Points: 4096,128 Relaxation Delay: 1.5 Observed Frequency: 600.133900845,150.919407834938 Nucleus: 1H,1H NMR Solvent: DMSO NMR Probe: Z114607_0205 (PA BBO 600S3 BBF-H-D-05 Z SP) NMR Pulse Sequence: noesy Temperature: 297.998 Observed Frequency: 600.13,600.13 Magnetic Field Strength: 14.095010308659894 Number of Scans: 16 NMR Pulse Sequence: noesygpphpp Spectral Width: 15.0206788135958,15.0116573848789 Number of Data Points: 2048,256 Relaxation Delay: 2 Observed Frequency: 600.13420091,600.13420091 Nucleus: 13C NMR Solvent: DMSO NMR Probe: Z114607_0205 (PA BBO 600S3 BBF-H-D-05 Z SP) NMR Pulse Sequence: 1d Temperature: 298.0003 Observed Frequency: 150.902808526 Magnetic Field Strength: 14.09286355384592 Number of Scans: 4000 NMR Pulse Sequence: zgpg30 Spectral Width: 240.076785751492 Number of Data Points: 65536 Relaxation Delay: 2 Observed Frequency: 150.917898807

Chemical Information

molecular Image
InChI InChI=1S/C28H22O10/c1-9-4-16(31)26-17(5-9)36-25-13-8-12-10(2)6-14(29)20(32)24(12)37-27-18(11(3)7-15(30)21(27)33)19(13)22(34)23(35)28(25)38-26/h4-7,29-35H,8H2,1-3H3
SMILES CC1=CC(O)=C2OC3=C(O)C(O)=C4C(=C3OC2=C1)CC1=C(C)C=C(O)C(O)=C1OC1=C4C(C)=CC(O)=C1O
InChI Key TUGVGWWWCYQDHM-UHFFFAOYSA-N

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.s1412.d6270
License URL
Source https://nmrxiv.org/D6270
Version
Author
Maintainer
Language english
MetadataPublished 2025-10-28T10:23:21.000000Z
Related Molecule
Field Value
Measurement Technique noesy
Measurement Variables
NMR solvent : DMSO

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

NMR spectrum by dimensionality : 2

NMR probe : Z114607_0205 (PA BBO 600S3 BBF-H-D-05 Z SP)

Temperature : 297.998 K

magnetic field strength : 14.095010308659894 Tesla

number of scans : 16 scans

nuclear magnetic resonance pulse sequence : noesygpphpp

Spectral Width : [15.0206788135958, 15.0116573848789]

number of data points : [2048, 256] points

relaxation time measurement : 2 seconds

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