Dataset

13[1 H]

Chemical Information

InChI	InChI=1S/C29H46O5/c1-23(2)17-10-14-26(6)19(25(17,5)13-12-21(23)30)8-9-20-27(26,7)16-22(31)28(33)15-11-18(24(3,4)32)29(20,28)34/h17-20,32-34H,8-16H2,1-7H3/t17-,18-,19+,20-,25-,26+,27+,28+,29-/m0/s1
SMILES	CC(C)(O)[C@@H]1CC[C@@]2(O)C(=O)C[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@]12O
InChI Key	WBEIHWQTTXTWCO-GBRMNSNESA-N

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.57992/nmrxiv.p150.s1500.d6582
License URL	https://creativecommons.org/licenses/by-nc/4.0/legalcode
Source	https://nmrxiv.org/D6582
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 : 297.7443 K magnetic field strength : 9.397691291560301 Tesla number of scans : 32 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.