@prefix chebi: . @prefix cheminf: . @prefix chmo: . @prefix dcat: . @prefix dct: . @prefix foaf: . @prefix prov: . @prefix schema1: . @prefix xsd: . a dcat:Dataset ; dct:conformsTo [ a dct:Standard ], [ a dct:Standard ; dct:identifier ] ; dct:creator [ a foaf:Agent ; foaf:name "NA" ] ; dct:description "This dataset contains NMR spectra obtained for the sample -Carapin E (OC3_DongmoAp_0704_CMR22) 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: 298.0004 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: 297.9999 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: 298.0002 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: 298.0003 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: 298.0011 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: 298.0002 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: CD2Cl2 NMR Probe: Z168773_0003 (CPP1.1 BBO 600S3 BB-H&F-D-05 Z XT) NMR Pulse Sequence: noesy Temperature: 298.0015 Observed Frequency: 600.13,600.13 Magnetic Field Strength: 14.095010308659894 Number of Scans: 4 NMR Pulse Sequence: noesygpphpp Spectral Width: 9.80175150829118,9.80175150829118 Number of Data Points: 2048,256 Relaxation Delay: 1.997952 Observed Frequency: 600.13283709556,600.13283709556" ; dct:identifier "https://doi.org/10.57992/nmrxiv.p151.s1520.d6708" ; dct:issued "2025-12-17"^^xsd:date ; dct:language ; dct:modified "2025-12-17"^^xsd:date ; dct:publisher ; dct:subject ; dct:title "Carapin E (OC3_DongmoAp_0704_CMR22)[11]" ; dcat:landingPage ; prov:wasGeneratedBy . a dct:LinguisticSystem . a schema1:DefinedTerm ; schema1:name "peak identification" . chmo:0000595 a schema1:DefinedTerm ; schema1:name "13C nuclear magnetic resonance spectroscopy" . chmo:0000800 a schema1:DefinedTerm ; schema1:name "spectrum" . a , prov:Activity ; prov:used . a chmo:0000595, prov:Activity . a chebi:59999, prov:Entity ; dct:hasPart ; dct:relation [ a cheminf:000037, prov:Entity ; dct:title "assigned IUPACChemicalFormula" ; prov:value "not available" ], [ a cheminf:000059, prov:Entity ; dct:title "assigned InChiKey" ; prov:value "HPNCMQZEKFDSSS-RMOSKFHOSA-N" ], [ a cheminf:000037, prov:Entity ; dct:title "assigned IUPACChemicalFormula" ; prov:value "not available" ], [ a cheminf:000059, prov:Entity ; dct:title "assigned InChiKey" ; prov:value "HPNCMQZEKFDSSS-RMOSKFHOSA-N" ], [ a cheminf:000113, prov:Entity ; dct:title "assigned InChi" ; prov:value "InChI=1S/C37H44O15/c1-17(2)27(42)49-37-28(47-19(4)39)30(5)16-34(37,43)32(7,21(30)12-24(40)44-9)35-14-23(46-18(3)38)31(6)22(36(35)29(37)50-33(8,51-35)52-36)13-25(41)48-26(31)20-10-11-45-15-20/h10-11,13,15,17,21,23,26,28-29,43H,12,14,16H2,1-9H3/t21-,23-,26-,28-,29?,30+,31-,32+,33-,34+,35-,36+,37-/m0/s1" ], [ a cheminf:000018, prov:Entity ; dct:title "assigned SMILES" ; prov:value "COC(=O)C[C@H]1[C@@]2(C)C[C@@]3(O)[C@]1(C)[C@@]14C[C@H](OC(C)=O)[C@]5(C)C(=CC(=O)O[C@H]5C5=COC=C5)[C@]15O[C@@](C)(OC5[C@@]3(OC(=O)C(C)C)[C@H]2OC(C)=O)O4" ], [ a cheminf:000113, prov:Entity ; dct:title "assigned InChi" ; prov:value "InChI=1S/C37H44O15/c1-17(2)27(42)49-37-28(47-19(4)39)30(5)16-34(37,43)32(7,21(30)12-24(40)44-9)35-14-23(46-18(3)38)31(6)22(36(35)29(37)50-33(8,51-35)52-36)13-25(41)48-26(31)20-10-11-45-15-20/h10-11,13,15,17,21,23,26,28-29,43H,12,14,16H2,1-9H3/t21-,23-,26-,28-,29?,30+,31-,32+,33-,34+,35-,36+,37-/m0/s1" ], [ a cheminf:000018, prov:Entity ; dct:title "assigned SMILES" ; prov:value "COC(=O)C[C@H]1[C@@]2(C)C[C@@]3(O)[C@]1(C)[C@@]14C[C@H](OC(C)=O)[C@]5(C)C(=CC(=O)O[C@H]5C5=COC=C5)[C@]15O[C@@](C)(OC5[C@@]3(OC(=O)C(C)C)[C@H]2OC(C)=O)O4" ] ; dct:title "evaluated sample" . a chmo:0000800, prov:Entity ; prov:wasGeneratedBy . a foaf:Document . a foaf:Organization ; foaf:name "nmrXiv" . cheminf:000018 a schema1:DefinedTerm ; schema1:name "SMILES" . cheminf:000037 a schema1:DefinedTerm ; schema1:name "IUPACChemicalFormula" . cheminf:000059 a schema1:DefinedTerm ; schema1:name "InChiKey" . cheminf:000113 a schema1:DefinedTerm ; schema1:name "InChi" .