Dataset

16[4 QC]

Chemical Information

InChI	InChI=1S/C26H40O3/c1-22(2)18-10-14-24(4)19(23(18,3)12-11-21(22)28)6-7-20-25(24,5)13-8-16-17(27)9-15-26(16,20)29/h16,18-20,29H,6-15H2,1-5H3/t16-,18+,19-,20+,23+,24-,25-,26-/m1/s1
SMILES	CC1(C)C(=O)CC[C@]2(C)[C@H]3CC[C@@H]4[C@@]5(O)CCC(=O)[C@H]5CC[C@@]4(C)[C@]3(C)CC[C@@H]12
InChI Key	AQOGCTCYWIVIRZ-ZTRGCLQGSA-N

Data and Resources

• 16[4 QC]HTML
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• heteronuclear-singl...

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.57992/nmrxiv.p150.s1512.d6656
License URL	https://creativecommons.org/licenses/by-nc/4.0/legalcode
Source	https://nmrxiv.org/D6656
Version
Author
Maintainer
Language	english
MetadataPublished	2025-11-20T10:19:11.000000Z
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 : Z108618_0647 (PA BBO 400S1 BBF-H-D-05 Z) Temperature : 298.1534 K magnetic field strength : 9.397691291560301 Tesla number of scans : 24 scans nuclear magnetic resonance pulse sequence : hsqcedgpph Spectral Width : [10.4132502205537, 165.088886537615] number of data points : [1024, 128] points relaxation time measurement : 1.3 seconds

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