Dataset

Carapin G (OC3_DongmoAp_0617_CMF23-HP1D)[11]

This dataset contains NMR spectra obtained for the sample -Carapin G (OC3_DongmoAp_0617_CMF23-HP1D) Nucleus: 1H NMR Solvent: Pyr NMR Probe: Z168773_0003 NMR Pulse Sequence: 1d Temperature: 297.999486947046 Observed Frequency: 600.13 Magnetic Field Strength: 14.095010308659894 Number of Scans: 32 NMR Pulse Sequence: zg30 Spectral Width: 19.8368493381866 Number of Data Points: 65536 Relaxation Delay: 1 Observed Frequency: 600.133705802 Nucleus: 13C NMR Solvent: Pyr NMR Probe: Z168773_0003 NMR Pulse Sequence: 1d Temperature: 297.998939583747 Observed Frequency: 150.902808526 Magnetic Field Strength: 14.09286355384592 Number of Scans: 2048 NMR Pulse Sequence: zgpg30 Spectral Width: 236.647117383728 Number of Data Points: 65536 Relaxation Delay: 2 Observed Frequency: 150.917898807 Nucleus: 13C NMR Solvent: Pyr NMR Probe: Z168773_0003 NMR Pulse Sequence: dept Temperature: 297.999717415803 Observed Frequency: 150.902808526 Magnetic Field Strength: 14.09286355384592 Number of Scans: 512 NMR Pulse Sequence: deptsp135 Spectral Width: 157.767899965848 Number of Data Points: 65536 Relaxation Delay: 2 Observed Frequency: 150.91488075 Nucleus: 1H,1H NMR Solvent: Pyr NMR Probe: Z168773_0003 NMR Pulse Sequence: cosy Temperature: 297.999890267371 Observed Frequency: 600.13,600.13 Magnetic Field Strength: 14.095010308659894 Number of Scans: 4 NMR Pulse Sequence: cosygpppqf Spectral Width: 11.9021176366777,11.9020999999008 Number of Data Points: 2048,128 Relaxation Delay: 2 Observed Frequency: 600.13330072,600.13330072 Nucleus: 1H,13C NMR Solvent: Pyr NMR Probe: Z168773_0003 NMR Pulse Sequence: hmqc Temperature: 297.999486947046 Observed Frequency: 600.13,150.902809 Magnetic Field Strength: 14.095010308659894 Number of Scans: 8 NMR Pulse Sequence: hmqcgpqf Spectral Width: 11.9021176366777,164.999999482852 Number of Data Points: 1024,128 Relaxation Delay: 1.5 Observed Frequency: 600.13330072,150.91412671 Nucleus: 1H,13C NMR Solvent: Pyr NMR Probe: Z168773_0003 NMR Pulse Sequence: hmbc Temperature: 298.001244271321 Observed Frequency: 600.13,150.902809 Magnetic Field Strength: 14.095010308659894 Number of Scans: 16 NMR Pulse Sequence: hmbcgpndqf Spectral Width: 11.9021176366777,239.999999250963 Number of Data Points: 4096,166 Relaxation Delay: 1.5 Observed Frequency: 600.13330072,150.92016282 Nucleus: 1H,1H NMR Solvent: Pyr NMR Probe: Z168773_0003 NMR Pulse Sequence: roesy Temperature: 297.999976693155 Observed Frequency: 600.13,600.13 Magnetic Field Strength: 14.095010308659894 Number of Scans: 4 NMR Pulse Sequence: roesyphpp.2 Spectral Width: 9.80174980525429,9.80174980525429 Number of Data Points: 2048,256 Relaxation Delay: 1.99590373039246 Observed Frequency: 600.132941367591,600.132941367591

Chemical Information

molecular Image
InChI InChI=1S/C26H32O8/c1-22(2)14-11-16(28)25(5)13(23(14,3)8-7-15(22)27)6-9-24(4)18(12-10-17(29)32-20(12)30)33-21(31)19-26(24,25)34-19/h7-8,10,13-14,16,18-20,28,30H,6,9,11H2,1-5H3/t13-,14+,16-,18+,19-,20+,23-,24+,25+,26-/m1/s1
SMILES CC1(C)C(=O)C=C[C@]2(C)[C@H]3CC[C@@]4(C)[C@H](C5=CC(=O)O[C@@H]5O)OC(=O)[C@H]5O[C@]54[C@]3(C)[C@H](O)C[C@@H]12
InChI Key CXNRERJDDLNGMK-WREPFBMRSA-N

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p151.s1518.d6694
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D6694
Version
Author
Maintainer
Language english
MetadataPublished 2025-12-10T17:26:12.000000Z
Related Molecule
Field Value
Measurement Technique 13C nuclear magnetic resonance spectroscopy
Measurement Variables
NMR solvent : Pyr

acquisition nucleus : ['13C']

NMR spectrum by dimensionality : 1

NMR probe : Z168773_0003

Temperature : 297.998939583747 K

magnetic field strength : 14.09286355384592 Tesla

number of scans : 2048 scans

nuclear magnetic resonance pulse sequence : zgpg30

Spectral Width : 236.647117383728

number of data points : 65536 points

relaxation time measurement : 2 seconds

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