Dataset

10_17OH_3OH_delta5_pyridine_THXI-007C_17_OH_12_pyridine_DHEA_09132024_FULL[8]

Chemical Information

InChI	InChI=1S/C22H29NO2/c1-21-10-9-14(24)12-13(21)5-6-15-17-7-8-18(25)22(17,2)20-16(19(15)21)4-3-11-23-20/h3-5,11,14-15,17-19,24-25H,6-10,12H2,1-2H3/t14-,15-,17-,18-,19+,21-,22-/m0/s1
SMILES	C[C@]12C3=C(C=CC=N3)[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2O
InChI Key	OKNQDOGZSNQGRW-CZJZRIMBSA-N

Data and Resources

• 10_17OH_3OH_delta5_pyridine_THXI-007C_17_OH_12_...HTML
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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.57992/nmrxiv.p155.s1554.d6866
License URL	https://creativecommons.org/licenses/by-nc/4.0/legalcode
Source	https://nmrxiv.org/D6866
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 : Z125869_0046 (CPP BBO 500S1 BB-H&F-D-05 Z) Temperature : 298.1483 K magnetic field strength : 11.746350800110099 Tesla number of scans : 4 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.