Dataset

2[15 NOESY]

Chemical Information

molecular Image
InChI InChI=1S/C29H46O4/c1-24(2)20-10-13-27(5)21(25(20,3)12-11-22(24)31)8-7-18-23-19-9-14-29(23,16-15-26(18,27)4)33-32-28(19,6)17-30/h18-21,23,30H,7-17H2,1-6H3/t18-,19?,20+,21-,23+,25+,26-,27-,28-,29-/m1/s1
SMILES CC1(C)C(=O)CC[C@]2(C)[C@H]3CC[C@@H]4[C@H]5C6CC[C@]5(CC[C@@]4(C)[C@]3(C)CC[C@@H]12)OO[C@]6(C)CO
InChI Key CUESBZUUNLTMKN-UPCVWKPVSA-N

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p150.s1511.d6650
License URL https://creativecommons.org/licenses/by-nc/4.0/legalcode
Source https://nmrxiv.org/D6650
Version
Author
Maintainer
Language english
MetadataPublished 2025-11-20T10:19:11.000000Z
Related Molecule
Field Value
Measurement Technique noesy
Measurement Variables
NMR solvent : CDCl3

acquisition nucleus : ['1H', '1H']

NMR spectrum by dimensionality : 2

NMR probe : Z108618_0647 (PA BBO 400S1 BBF-H-D-05 Z)

Temperature : 297.6403 K

magnetic field strength : 9.397691291560301 Tesla

number of scans : 24 scans

nuclear magnetic resonance pulse sequence : noesygpphpp

Spectral Width : [10.0773359377894, 10.0773359377894]

number of data points : [2048, 128] points

relaxation time measurement : 1.196781 seconds

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