Dataset

Carapin F (OC3_DongmoAp_0418_CMS34)[13]

This dataset contains NMR spectra obtained for the sample -Carapin F (OC3_DongmoAp_0418_CMS34) Nucleus: 1H NMR Solvent: CDCl3 NMR Probe: Z168773_0003 (CPP1.1 BBO 600S3 BB-H&F-D-05 Z XT) NMR Pulse Sequence: 1d Temperature: 297.9998 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: CDCl3 NMR Probe: Z168773_0003 (CPP1.1 BBO 600S3 BB-H&F-D-05 Z XT) NMR Pulse Sequence: 1d Temperature: 298.0002 Observed Frequency: 150.902808526 Magnetic Field Strength: 14.09286355384592 Number of Scans: 1024 NMR Pulse Sequence: zgpg30 Spectral Width: 236.647117383728 Number of Data Points: 65536 Relaxation Delay: 2 Observed Frequency: 150.917898807 Nucleus: 13C NMR Solvent: CDCl3 NMR Probe: Z168773_0003 (CPP1.1 BBO 600S3 BB-H&F-D-05 Z XT) NMR Pulse Sequence: dept Temperature: 298.0009 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: CDCl3 NMR Probe: Z168773_0003 (CPP1.1 BBO 600S3 BB-H&F-D-05 Z XT) NMR Pulse Sequence: cosy Temperature: 298.0007 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: CDCl3 NMR Probe: Z168773_0003 (CPP1.1 BBO 600S3 BB-H&F-D-05 Z XT) NMR Pulse Sequence: hmqc Temperature: 298.0003 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: CDCl3 NMR Probe: Z168773_0003 (CPP1.1 BBO 600S3 BB-H&F-D-05 Z XT) NMR Pulse Sequence: hmbc Temperature: 297.9987 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: CDCl3 NMR Probe: Z168773_0003 (CPP1.1 BBO 600S3 BB-H&F-D-05 Z XT) NMR Pulse Sequence: noesy Temperature: 297.9976 Observed Frequency: 600.13,600.13 Magnetic Field Strength: 14.095010308659894 Number of Scans: 4 NMR Pulse Sequence: noesygpphpp Spectral Width: 9.25721228388213,9.25721228388212 Number of Data Points: 2048,54 Relaxation Delay: 1.985664 Observed Frequency: 600.132673334975,600.132673334975 Nucleus: 1H,1H NMR Solvent: CDCl3 NMR Probe: Z168773_0003 (CPP1.1 BBO 600S3 BB-H&F-D-05 Z XT) NMR Pulse Sequence: noesy Temperature: 297.9976 Observed Frequency: 600.13,600.13 Magnetic Field Strength: 14.095010308659894 Number of Scans: 4 NMR Pulse Sequence: noesygpphpp Spectral Width: 9.25721228388213,9.25721228388212 Number of Data Points: 2048,54 Relaxation Delay: 1.985664 Observed Frequency: 600.132673334975,600.132673334975

Chemical Information

InChI	InChI=1S/C38H56O7/c1-34(2)28-21-29(39)38(7)26-15-14-24(23-20-25(44-33(23)43-8)31(40)35(3,4)42)36(26,5)18-16-27(38)37(28,6)19-17-30(34)45-32(41)22-12-10-9-11-13-22/h9-13,15,23-25,27-31,33,39-40,42H,14,16-21H2,1-8H3/t23-,24-,25+,27?,28-,29+,30-,31+,33-,36-,37+,38-/m0/s1
SMILES	CO[C@H]1O[C@@H]([C@@H](O)C(C)(C)O)C[C@H]1[C@@H]1CC=C2[C@@]3(C)C(CC[C@]21C)[C@@]1(C)CC[C@H](OC(=O)C2=CC=CC=C2)C(C)(C)[C@@H]1C[C@H]3O
InChI Key	DETLFRIQGKYAON-WJFAHOLGSA-N

Data and Resources

Carapin F (OC3_DongmoAp_0418_CMS34)[13]HTML

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Metadata Information

Field	Value
DOI	10.57992/nmrxiv.p151.s1521.d6717
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D6717
Version
Author
Maintainer
Language	english
MetadataPublished	2025-12-10T17:26:12.000000Z
Related Molecule

Field	Value
Measurement Technique	correlation spectroscopy
Measurement Variables	NMR solvent : CDCl3 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 : 298.0007 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.