Dataset

Carapin A (OC3_DongmoAp_0619_CMR23)[16]

This dataset contains NMR spectra obtained for the sample -Carapin A (OC3_DongmoAp_0619_CMR23) 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: 297.9989 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: 298.0005 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: CD2Cl2 NMR Probe: Z168773_0003 (CPP1.1 BBO 600S3 BB-H&F-D-05 Z XT) NMR Pulse Sequence: dept Temperature: 298.0007 Observed Frequency: 150.902808526 Magnetic Field Strength: 14.09286355384592 Number of Scans: 256 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: 298.0002 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: 297.9985 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: 298.0004 Observed Frequency: 600.13,150.902809 Magnetic Field Strength: 14.095010308659894 Number of Scans: 8 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: 298.0018 Observed Frequency: 600.13,600.13 Magnetic Field Strength: 14.095010308659894 Number of Scans: 8 NMR Pulse Sequence: noesygpphpp Spectral Width: 8.3314936252559,8.3314936252559 Number of Data Points: 2048,256 Relaxation Delay: 1.96928 Observed Frequency: 600.132488230335,600.132488230335

Chemical Information

InChI	InChI=1S/C26H30O7/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/h7-8,10-11,13,17,19-20,27H,6,9,12H2,1-5H3/t17-,19+,20-,23+,24+,25-,26-/m1/s1
SMILES	CC1=C2CC[C@@]3(C)[C@H](C4=COC=C4)OC(=O)[C@H]4O[C@]43[C@]2(C)[C@H](O)C[C@]12C=CC(=O)OC2(C)C
InChI Key	RAUDSUXWAYKXET-XUHMMNDRSA-N

Data and Resources

Carapin A (OC3_DongmoAp_0619_CMR23)[16]HTML

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Metadata Information

Field	Value
DOI	10.57992/nmrxiv.p151.s1516.d6685
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D6685
Version
Author
Maintainer
Language	english
MetadataPublished	2025-12-10T17:26:12.000000Z
Related Molecule

Field	Value
Measurement Technique	noesy
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 : 298.0018 K magnetic field strength : 14.095010308659894 Tesla number of scans : 8 scans nuclear magnetic resonance pulse sequence : noesygpphpp Spectral Width : [8.3314936252559, 8.3314936252559] number of data points : [2048, 256] points relaxation time measurement : 1.96928 seconds

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