Dataset

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

Chemical Information

InChI	InChI=1S/C34H49NO4/c1-22(2)7-6-8-23(3)29-15-16-30-28-14-11-25-21-27(17-19-33(25,4)31(28)18-20-34(29,30)5)39-32(36)24-9-12-26(13-10-24)35(37)38/h9-13,22-23,27-31H,6-8,14-21H2,1-5H3/t23-,27+,28+,29-,30+,31+,33+,34-/m1/s1
SMILES	CC(CCC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CC[C@@H](C2)OC(=O)c1ccc(cc1)N(=O)=O)C)C
InChI Key	MCSXGHLTXBACQB-AESKLMAPSA-N
Exact Mass	535.757 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/MCSXGHLTXBACQB-AESKLMAPSA-N/CHMO0001150
License URL
Source	https://www.chemotion-repository.net/inchikey/MCSXGHLTXBACQB-AESKLMAPSA-N/CHMO0001150
Version
Author	Jean-Marie Lehn
Maintainer	Chemotion Repository
Language	english
MetadataPublished	2026-05-18T07:25:44Z
Related Molecule

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

Data-Source Molecule ID	Data-Source
5888471	surechembl
13725437	pubchem
WAZGAI	CCDC
The data in this table is sourced from UniChem at EBI.