Dataset

8_THXI-026C_3_keto_12_pyridine_17_ketal_DHEA_09232024_FULL[6]

Chemical Information

InChI	InChI=1S/C24H29NO3/c1-22-9-7-16(26)14-15(22)5-6-17-19-8-10-24(27-12-13-28-24)23(19,2)21-18(20(17)22)4-3-11-25-21/h3-5,11,17,19-20H,6-10,12-14H2,1-2H3/t17-,19-,20+,22-,23+/m0/s1
SMILES	C[C@]12CCC(=O)CC1=CC[C@@H]1[C@@H]2C2=C(N=CC=C2)[C@@]2(C)[C@H]1CCC21OCCO1
InChI Key	LXJNJXUXBSYHBF-XSRIEOKSSA-N

Data and Resources

• 8_THXI-026C_3_keto_12_pyridine_17_ketal_DHEA_09...HTML
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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.57992/nmrxiv.p155.s1555.d6872
License URL	https://creativecommons.org/licenses/by-nc/4.0/legalcode
Source	https://nmrxiv.org/D6872
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 : 298.151 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.