Dataset

5b_THVI-073B_3_OTBDMS_12_OH_17_ketal_DHEA_05082025_FULL[8]

Chemical Information

molecular Image
InChI InChI=1S/C27H46O4Si/c1-24(2,3)32(6,7)31-19-10-12-25(4)18(16-19)8-9-20-21-11-13-27(29-14-15-30-27)26(21,5)23(28)17-22(20)25/h8,19-23,28H,9-17H2,1-7H3/t19-,20-,21-,22-,23+,25-,26+/m0/s1
SMILES CC(C)(C)[Si](C)(C)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CCC5(OCCO5)[C@@]4(C)[C@H](O)C[C@@H]32)C1
InChI Key VYXJBARQYGFYHG-LOIFCEGPSA-N

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p155.s1557.d6890
License URL https://creativecommons.org/licenses/by-nc/4.0/legalcode
Source https://nmrxiv.org/D6890
Version
Author
Maintainer
Language english
MetadataPublished 2025-12-26T01:36:47.000000Z
Related Molecule
Field Value
Measurement Technique noesy
Measurement Variables
NMR solvent : CDCl3

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

NMR spectrum by dimensionality : 2

NMR probe : Z149001_0004 (CPP BBO 500S1 BB-H&F-05 Z)

Temperature : 298.1502 K

magnetic field strength : 11.746350800110099 Tesla

number of scans : 20 scans

nuclear magnetic resonance pulse sequence : noesygpphpp

Spectral Width : [9.99735368826195, 9.99735368826195]

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.