Dataset

Carapin C (OC3_DongmoAp_0624_CMR27)[11]

This dataset contains NMR spectra obtained for the sample -Carapin C (OC3_DongmoAp_0624_CMR27) Nucleus: 1H NMR Solvent: Acetone NMR Probe: Z168773_0003 (CPP1.1 BBO 600S3 BB-H&F-D-05 Z XT) NMR Pulse Sequence: 1d Temperature: 297.9969 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: Acetone NMR Probe: Z168773_0003 (CPP1.1 BBO 600S3 BB-H&F-D-05 Z XT) NMR Pulse Sequence: 1d Temperature: 298.0012 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: Acetone NMR Probe: Z168773_0003 (CPP1.1 BBO 600S3 BB-H&F-D-05 Z XT) NMR Pulse Sequence: dept Temperature: 297.9999 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: Acetone NMR Probe: Z168773_0003 (CPP1.1 BBO 600S3 BB-H&F-D-05 Z XT) NMR Pulse Sequence: cosy Temperature: 297.9997 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: Acetone NMR Probe: Z168773_0003 (CPP1.1 BBO 600S3 BB-H&F-D-05 Z XT) NMR Pulse Sequence: hmqc Temperature: 298.0001 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: Acetone NMR Probe: Z168773_0003 (CPP1.1 BBO 600S3 BB-H&F-D-05 Z XT) NMR Pulse Sequence: hmbc Temperature: 297.9984 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: 4096,128 Relaxation Delay: 1.5 Observed Frequency: 600.13330072,150.92016282 Nucleus: 1H,1H NMR Solvent: Acetone NMR Probe: Z168773_0003 (CPP1.1 BBO 600S3 BB-H&F-D-05 Z XT) NMR Pulse Sequence: noesy Temperature: 297.9997 Observed Frequency: 600.13,600.13 Magnetic Field Strength: 14.095010308659894 Number of Scans: 8 NMR Pulse Sequence: noesygpphpp Spectral Width: 8.33149277160942,8.33149277160942 Number of Data Points: 2048,256 Relaxation Delay: 1.973376 Observed Frequency: 600.132549720035,600.132549720035

Chemical Information

InChI	InChI=1S/C26H30O7/c1-13-15-6-8-23(4)19(14-7-9-29-12-14)31-21(28)20-26(23,33-20)24(15,5)17-11-25(13)16(30-17)10-18(27)32-22(25,2)3/h6-7,9,12-13,16-17,19-20H,8,10-11H2,1-5H3/t13-,16-,17+,19-,20+,23-,24-,25+,26+/m0/s1
SMILES	C[C@H]1C2=CC[C@@]3(C)[C@H](C4=COC=C4)OC(=O)[C@H]4O[C@]43[C@]2(C)[C@H]2C[C@]13[C@H](CC(=O)OC3(C)C)O2
InChI Key	LBDANYGAOSEOHA-FRXWEANJSA-N

Data and Resources

Carapin C (OC3_DongmoAp_0624_CMR27)[11]HTML

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Metadata Information

Field	Value
DOI	10.57992/nmrxiv.p151.s1517.d6687
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D6687
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 : Acetone acquisition nucleus : ['13C'] NMR spectrum by dimensionality : 1 NMR probe : Z168773_0003 (CPP1.1 BBO 600S3 BB-H&F-D-05 Z XT) Temperature : 298.0012 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.