Dataset

12[5 QC]

Chemical Information

InChI	InChI=1S/C29H44O3/c1-25(2)20-11-15-29(7)21(27(20,5)13-12-22(25)31)9-8-18-23-17(10-14-28(18,29)6)16-19(30)24(23)26(3,4)32/h16,18,20-21,23-24,32H,8-15H2,1-7H3/t18-,20+,21-,23+,24-,27+,28-,29-/m1/s1
SMILES	CC(C)(O)[C@@H]1C(=O)C=C2CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]21
InChI Key	CVOHXMXIIMAGIG-VKZKMBKOSA-N

Data and Resources

• 12[5 QC]HTML
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• heteronuclear-singl...

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.57992/nmrxiv.p150.s1502.d6600
License URL	https://creativecommons.org/licenses/by-nc/4.0/legalcode
Source	https://nmrxiv.org/D6600
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 : 298.1669 K magnetic field strength : 9.397691291560301 Tesla number of scans : 36 scans nuclear magnetic resonance pulse sequence : hsqcedgpph Spectral Width : [8.38651508324957, 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.