Dataset

11[1 H]

Chemical Information

InChI	InChI=1S/C29H44O5/c1-24(2)18-10-13-27(6)19(26(18,5)12-11-22(24)31)8-9-20-28(27,7)15-17(30)16-14-21-25(3,4)33-34-29(20,21)23(16)32/h16-21,30H,8-15H2,1-7H3/t16-,17-,18-,19+,20-,21-,26-,27+,28+,29+/m0/s1
SMILES	CC1(C)OO[C@@]23C(=O)[C@@H](C[C@@H]12)[C@@H](O)C[C@]1(C)[C@@H]3CC[C@@H]2[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@]21C
InChI Key	IZHIJXXCGCZIKO-YJJLMTPISA-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.s1501.d6589
License URL	https://creativecommons.org/licenses/by-nc/4.0/legalcode
Source	https://nmrxiv.org/D6589
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 : Z108618_0647 (PA BBO 400S1 BBF-H-D-05 Z) Temperature : 298.0022 K magnetic field strength : 9.397691291560301 Tesla number of scans : 64 scans nuclear magnetic resonance pulse sequence : zg30 Spectral Width : 16.978067386969 number of data points : 27172 points relaxation time measurement : 2 seconds

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