Dataset

8[5 QC]

Chemical Information

InChI	InChI=1S/C29H46O4/c1-23(2)18-10-14-26(6)20(25(18,5)13-12-22(23)30)8-9-21-27(26,7)16-17-28(31)15-11-19-24(3,4)32-33-29(19,21)28/h18-21,31H,8-17H2,1-7H3/t18-,19-,20+,21-,25-,26+,27+,28+,29-/m0/s1
SMILES	CC1(C)OO[C@@]23[C@H]4CC[C@@H]5[C@@]6(C)CCC(=O)C(C)(C)[C@@H]6CC[C@@]5(C)[C@]4(C)CC[C@]2(O)CC[C@@H]13
InChI Key	QYLJGTLHFVRTGV-ANASKLOOSA-N

Data and Resources

• 8[5 QC]HTML
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• heteronuclear-singl...

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.57992/nmrxiv.p150.s1508.d6640
License URL	https://creativecommons.org/licenses/by-nc/4.0/legalcode
Source	https://nmrxiv.org/D6640
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 : 298.4578 K magnetic field strength : 9.397691291560301 Tesla number of scans : 32 scans nuclear magnetic resonance pulse sequence : hsqcedgpph Spectral Width : [5.40948551801692, 165.088886537615] number of data points : [512, 128] points relaxation time measurement : 1.3 seconds

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