Dataset

14[4 COSY]

Chemical Information

molecular Image
InChI InChI=1S/C29H48O3/c1-24(2)20-11-14-28(7)21(26(20,5)13-12-22(24)30)9-8-19-23-18(25(3,4)31)10-15-29(23,32)17-16-27(19,28)6/h18-21,23,31-32H,8-17H2,1-7H3/t18-,19-,20+,21-,23-,26+,27-,28-,29-/m1/s1
SMILES CC(C)(O)[C@@H]1CC[C@@]2(O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12
InChI Key WMGOHKRXLUXGKM-BUDYIXBQSA-N

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p150.s1513.d6662
License URL https://creativecommons.org/licenses/by-nc/4.0/legalcode
Source https://nmrxiv.org/D6662
Version
Author
Maintainer
Language english
MetadataPublished 2025-11-20T10:19:11.000000Z
Related Molecule
Field Value
Measurement Technique correlation spectroscopy
Measurement Variables
NMR solvent : CDCl3

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

NMR spectrum by dimensionality : 2

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

Temperature : 297.5875 K

magnetic field strength : 9.397691291560301 Tesla

number of scans : 4 scans

nuclear magnetic resonance pulse sequence : cosygpmfqf

Spectral Width : [12.9894634560296, 12.9894634560296]

number of data points : [2048, 128] points

relaxation time measurement : 1.3 seconds

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