Dataset

6_THXI-014D2_12_pyridine_17_ketal_DHEA_09202024_FULL[5]

Chemical Information

InChI	InChI=1S/C24H31NO3/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/h3-5,11,16-17,19-20,26H,6-10,12-14H2,1-2H3/t16-,17-,19-,20+,22-,23+/m0/s1
SMILES	C[C@]12CC[C@H](O)CC1=CC[C@@H]1[C@@H]2C2=C(N=CC=C2)[C@@]2(C)[C@H]1CCC21OCCO1
InChI Key	KFYNCQUNZRVBJW-NXQHWSSLSA-N

Data and Resources

• 6_THXI-014D2_12_pyridine_17_ketal_DHEA_09202024_FULL[5]HTML
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• heteronuclear-singl...

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.57992/nmrxiv.p155.s1558.d6895
License URL	https://creativecommons.org/licenses/by-nc/4.0/legalcode
Source	https://nmrxiv.org/D6895
Version
Author
Maintainer
Language	english
MetadataPublished	2025-12-26T01:36:47.000000Z
Related Molecule

Field	Value
Measurement Technique	heteronuclear single quantum coherence
Measurement Variables	NMR solvent : CDCl3 acquisition nucleus : ['1H', '13C'] NMR spectrum by dimensionality : 2 NMR probe : Z125869_0046 (CPP BBO 500S1 BB-H&F-D-05 Z) Temperature : 298.1512 K magnetic field strength : 11.746350800110099 Tesla number of scans : 10 scans nuclear magnetic resonance pulse sequence : hsqcedetgpsisp2.3 Spectral Width : [12.983576218522, 164.962602395549] number of data points : [2048, 32] points relaxation time measurement : 1.5 seconds

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