Dataset

2[1 H]

Chemical Information

InChI	InChI=1S/C29H46O4/c1-24(2)20-10-13-27(5)21(25(20,3)12-11-22(24)31)8-7-18-23-19-9-14-29(23,16-15-26(18,27)4)33-32-28(19,6)17-30/h18-21,23,30H,7-17H2,1-6H3/t18-,19?,20+,21-,23+,25+,26-,27-,28-,29-/m1/s1
SMILES	CC1(C)C(=O)CC[C@]2(C)[C@H]3CC[C@@H]4[C@H]5C6CC[C@]5(CC[C@@]4(C)[C@]3(C)CC[C@@H]12)OO[C@]6(C)CO
InChI Key	CUESBZUUNLTMKN-UPCVWKPVSA-N

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.57992/nmrxiv.p150.s1511.d6646
License URL	https://creativecommons.org/licenses/by-nc/4.0/legalcode
Source	https://nmrxiv.org/D6646
Version
Author
Maintainer
Language	english
MetadataPublished	2025-11-20T10:19:11.000000Z
Related Molecule

Field	Value
Measurement Technique	1H nuclear magnetic resonance spectroscopy
Measurement Variables	NMR solvent : CDCl3 acquisition nucleus : ['1H'] NMR spectrum by dimensionality : 1 NMR probe : 5 mm QNP 1H/13C/31P/19F Z3246/0085 Temperature : 295.3 K magnetic field strength : 7.049031783010506 Tesla number of scans : 64 scans nuclear magnetic resonance pulse sequence : zg30 Spectral Width : 19.9752169753019 number of data points : 24576 points relaxation time measurement : 1 seconds

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