Dataset

1H--1H correlation spectroscopy (1H-1H COSY)

Chemical Information

InChI	InChI=1S/C28H36O4/c1-18(29)31-21-13-15-27(2)20(17-21)9-10-22-23-11-12-25(28(23,3)16-14-24(22)27)32-26(30)19-7-5-4-6-8-19/h4-9,21-25H,10-17H2,1-3H3
SMILES	CC(=O)OC1CCC2(C(=CCC3C2CCC2(C3CCC2OC(=O)c2ccccc2)C)C1)C
InChI Key	JVRUDYNTKOCRNP-UHFFFAOYSA-N
Exact Mass	436.583 g/mol

Data and Resources

• 1H--1H correlation spectroscopy (1H-1H COSY)HTML
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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/JVRUDYNTKOCRNP-UHFFFAOYSA-N/CHMO0001150
License URL
Source	https://www.chemotion-repository.net/inchikey/JVRUDYNTKOCRNP-UHFFFAOYSA-N/CHMO0001150
Version
Author	Jean-Marie Lehn
Maintainer	Chemotion Repository
Language	english
MetadataPublished	2026-05-18T07:22:32Z
Related Molecule

Field	Value
Measurement Technique	1H–1H correlation spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
CHEMBL4794628	chembl
288166	pubchem
PD160416	probes_and_drugs
DTXSID00974939	comptox
The data in this table is sourced from UniChem at EBI.