Dataset

11[6 BC]

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

• 11[6 BC]HTML
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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.57992/nmrxiv.p150.s1501.d6594
License URL	https://creativecommons.org/licenses/by-nc/4.0/legalcode
Source	https://nmrxiv.org/D6594
Version
Author
Maintainer
Language	english
MetadataPublished	2025-11-20T10:19:11.000000Z
Related Molecule

Field	Value
Measurement Technique	heteronuclear multiple bond 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 : 298.0014 K magnetic field strength : 9.397691291560301 Tesla number of scans : 36 scans nuclear magnetic resonance pulse sequence : hmbcgpl2ndqf Spectral Width : [4.8812140575064, 230.04636848742] 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.