Dataset

D-MOHAMMED-35-C13[11]

This dataset contains NMR spectra obtained for the sample -D-MOHAMMED-35-C13 Nucleus: 13C NMR Solvent: CDCl3 NMR Probe: 5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0665 NMR Pulse Sequence: 1d Temperature: 298.155 Observed Frequency: 100.612768526 Magnetic Field Strength: 9.396259966674501 Number of Scans: 6000 NMR Pulse Sequence: zgpg30 Spectral Width: 238.896696692068 Number of Data Points: 65536 Relaxation Delay: 2 Observed Frequency: 100.622829328806

Chemical Information

InChI	InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-9,11,19-23,25-27,30H,7,10,12-18H2,1-6H3/b9-8+/t20-,21-,22+,23+,25-,26+,27+,28+,29-/m1/s1
SMILES	CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
InChI Key	JZVFJDZBLUFKCA-FXIAWGAOSA-N

Data and Resources

D-MOHAMMED-35-C13[11]HTML

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Metadata Information

Field	Value
DOI	10.57992/nmrxiv.p167.s1759.d7755
License URL
Source	https://nmrxiv.org/D7755
Version
Author
Maintainer
Language	english
MetadataPublished	2026-03-21T17:47:28.000000Z
Related Molecule

Field	Value
Measurement Technique	13C nuclear magnetic resonance spectroscopy
Measurement Variables	NMR solvent : CDCl3 acquisition nucleus : ['13C'] NMR spectrum by dimensionality : 1 NMR probe : 5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0665 Temperature : 298.155 K magnetic field strength : 9.396259966674501 Tesla number of scans : 6000 scans nuclear magnetic resonance pulse sequence : zgpg30 Spectral Width : 238.896696692068 number of data points : 65536 points relaxation time measurement : 2 seconds

Data-Source Molecule ID	Data-Source
CHEBI:10333	chebi
LMST01040126	lipidmaps
CHEMBL487783	chembl
232490	surechembl
5281331	pubchem
0LG993QX1A	fdasrs
PD069730	probes_and_drugs
206836	brenda
96146	brenda
HMDB0302273	hmdb
Molport-029-887-078	molport
50275507	bindingdb
The data in this table is sourced from UniChem at EBI.