Dataset

Cnicin[4]

This dataset contains NMR spectra obtained for the sample containing Cnicin

Chemical Information

molecular Image

InChI	InChI=1S/C20H26O7/c1-11-5-4-6-14(9-21)8-17-18(13(3)20(25)27-17)16(7-11)26-19(24)12(2)15(23)10-22/h5,8,15-18,21-23H,2-4,6-7,9-10H2,1H3/b11-5+,14-8-/t15-,16+,17+,18+/m0/s1
SMILES	C=C(C(=O)O[C@H]1C/C(C)=C\CC/C(CO)=C\[C@@H]2OC(=O)C(=C)[C@H]21)[C@H](O)CO
InChI Key	ZTDFZLVUIVPZDU-TXUCRXOOSA-N

Data and Resources

Cnicin[4]HTML

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Metadata Information

Field	Value
DOI	10.57992/nmrxiv.p42.s1323.d5832
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D5832
Version
Author	Peter Spiteller
Maintainer
Language	english
MetadataPublished	2025-08-31T17:42:30.000000Z
Related Molecule

Field	Value
Measurement Technique
Measurement Variables	NMR solvent : acquisition nucleus : NMR spectrum by dimensionality : NMR probe : Temperature : K magnetic field strength : Tesla number of scans : scans nuclear magnetic resonance pulse sequence : Spectral Width : number of data points : points relaxation time measurement : seconds

Data-Source Molecule ID	Data-Source
ZINC000238771587	ZINC
The data in this table is sourced from UniChem at EBI.