Dataset

Carapin B (OC3_DongmoAp_0619_CMR26)[13]

This dataset contains NMR spectra obtained for the sample -Carapin B (OC3_DongmoAp_0619_CMR26) Nucleus: 1H NMR Solvent: CD2Cl2 NMR Probe: Z168773_0003 (CPP1.1 BBO 600S3 BB-H&F-D-05 Z XT) NMR Pulse Sequence: 1d Temperature: 298.0001 Observed Frequency: 600.13 Magnetic Field Strength: 14.095010308659894 Number of Scans: 16 NMR Pulse Sequence: zg30 Spectral Width: 19.8368493381866 Number of Data Points: 65536 Relaxation Delay: 1 Observed Frequency: 600.133705802 Nucleus: 13C NMR Solvent: CD2Cl2 NMR Probe: Z168773_0003 (CPP1.1 BBO 600S3 BB-H&F-D-05 Z XT) NMR Pulse Sequence: 1d Temperature: 298.0011 Observed Frequency: 150.902808526 Magnetic Field Strength: 14.09286355384592 Number of Scans: 4096 NMR Pulse Sequence: zgpg30 Spectral Width: 236.647117383728 Number of Data Points: 65536 Relaxation Delay: 2 Observed Frequency: 150.917898807 Nucleus: 13C NMR Solvent: CD2Cl2 NMR Probe: Z168773_0003 (CPP1.1 BBO 600S3 BB-H&F-D-05 Z XT) NMR Pulse Sequence: dept Temperature: 298.0001 Observed Frequency: 150.902808526 Magnetic Field Strength: 14.09286355384592 Number of Scans: 1024 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: CD2Cl2 NMR Probe: Z168773_0003 (CPP1.1 BBO 600S3 BB-H&F-D-05 Z XT) NMR Pulse Sequence: cosy Temperature: 298.0001 Observed Frequency: 600.13,600.13 Magnetic Field Strength: 14.095010308659894 Number of Scans: 2 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: CD2Cl2 NMR Probe: Z168773_0003 (CPP1.1 BBO 600S3 BB-H&F-D-05 Z XT) NMR Pulse Sequence: hmqc Temperature: 298.0009 Observed Frequency: 600.13,150.902809 Magnetic Field Strength: 14.095010308659894 Number of Scans: 4 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: CD2Cl2 NMR Probe: Z168773_0003 (CPP1.1 BBO 600S3 BB-H&F-D-05 Z XT) NMR Pulse Sequence: hmbc Temperature: 297.9999 Observed Frequency: 600.13,150.902809 Magnetic Field Strength: 14.095010308659894 Number of Scans: 32 NMR Pulse Sequence: hmbcgpndqf Spectral Width: 11.9021176366777,239.999999250963 Number of Data Points: 4096,128 Relaxation Delay: 1.5 Observed Frequency: 600.13330072,150.92016282 Nucleus: 1H,1H NMR Solvent: CD2Cl2 NMR Probe: Z168773_0003 (CPP1.1 BBO 600S3 BB-H&F-D-05 Z XT) NMR Pulse Sequence: noesy Temperature: 298.0001 Observed Frequency: 600.13,600.13 Magnetic Field Strength: 14.095010308659894 Number of Scans: 8 NMR Pulse Sequence: noesygpphpp Spectral Width: 8.33149373873941,8.33149373873941 Number of Data Points: 2048,256 Relaxation Delay: 1.96928 Observed Frequency: 600.132480055914,600.132480055914

Chemical Information

molecular Image
InChI InChI=1S/C26H28O7/c1-14-16-6-9-23(4)19(15-8-11-30-13-15)31-21(29)20-26(23,33-20)24(16,5)17(27)12-25(14)10-7-18(28)32-22(25,2)3/h7-8,10-11,13,19-20H,6,9,12H2,1-5H3/t19-,20+,23-,24-,25+,26+/m0/s1
SMILES CC1=C2CC[C@@]3(C)[C@H](C4=COC=C4)OC(=O)[C@H]4O[C@]43[C@]2(C)C(=O)C[C@]12C=CC(=O)OC2(C)C
InChI Key YMHAHYAQEMNRNS-WAPXPONUSA-N

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p151.s1515.d6675
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D6675
Version
Author
Maintainer
Language english
MetadataPublished 2025-12-10T17:26:12.000000Z
Related Molecule
Field Value
Measurement Technique correlation spectroscopy
Measurement Variables
NMR solvent : CD2Cl2

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

NMR spectrum by dimensionality : 2

NMR probe : Z168773_0003 (CPP1.1 BBO 600S3 BB-H&F-D-05 Z XT)

Temperature : 298.0001 K

magnetic field strength : 14.095010308659894 Tesla

number of scans : 2 scans

nuclear magnetic resonance pulse sequence : cosygpppqf

Spectral Width : [11.9021176366777, 11.9020999999008]

number of data points : [2048, 128] points

relaxation time measurement : 2 seconds

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