Dataset

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

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

Chemical Information

Molecular Image
InChI InChI=1S/C25H42O5/c1-14(5-8-22(29)30-4)17-6-7-18-23-19(13-21(28)25(17,18)3)24(2)10-9-16(26)11-15(24)12-20(23)27/h14-21,23,26-28H,5-13H2,1-4H3/t14-,15+,16-,17-,18+,19+,20-,21+,23+,24+,25-/m1/s1
SMILES COC(=O)CC[C@H]([C@H]1CC[C@@H]2[C@]1(C)[C@@H](O)C[C@H]1[C@H]2[C@H](O)C[C@H]2[C@]1(C)CC[C@H](C2)O)C
InChI Key DLYVTEULDNMQAR-SRNOMOOLSA-N
Molecular Formula C25H42O5
Exact Mass 422.598 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/DLYVTEULDNMQAR-SRNOMOOLSA-N/CHMO0001150
License URL
Source https://www.chemotion-repository.net/inchikey/DLYVTEULDNMQAR-SRNOMOOLSA-N/CHMO0001150
Version
Author Jean-Marie Lehn
Maintainer Chemotion Repository
Language english
MetadataPublished 2026-05-18T07:24:08Z
Related Molecule
Field Value
Measurement Technique 1H–1H correlation spectroscopy
Measurement Variables
title : X29363

date : 20250416

starting time : 23.47 h

label : SVS-3906

id : 360853

Solvent : chloroform-D1 (CDCl3)

temperature : 300.0 K

PULPROG : cosygpppqf

number of scans : 1 scans

instrument : spect

Data-Source Molecule ID Data-Source
CHEBI:177012 chebi
CHEMBL1078052 chembl
338241 surechembl
10960835 pubchem
E1P59HQX4Q fdasrs
PD088379 probes_and_drugs
YUTCEV CCDC
45180 brenda
A1CBA pdbe
DTXSID40932412 comptox
Molport-004-285-584 molport
50442869 bindingdb
The data in this table is sourced from UniChem at EBI.