Dataset

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

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

Chemical Information

Molecular Image
InChI InChI=1S/C27H48O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-25,28H,6-17H2,1-5H3/t19-,20+,21+,22+,23-,24+,25+,26+,27-/m1/s1
SMILES CC(CCC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@@H]2[C@]1(C)CC[C@@H](C2)O)C)C
InChI Key QYIXCDOBOSTCEI-QCYZZNICSA-N
Molecular Formula C27H48O
Exact Mass 388.669 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/QYIXCDOBOSTCEI-QCYZZNICSA-N/CHMO0001150
License URL
Source https://www.chemotion-repository.net/inchikey/QYIXCDOBOSTCEI-QCYZZNICSA-N/CHMO0001150
Version
Author Jean-Marie Lehn
Maintainer Chemotion Repository
Language english
MetadataPublished 2026-05-18T07:24:31Z
Related Molecule
Field Value
Measurement Technique 1H–1H correlation spectroscopy
Measurement Variables
title : X29373

date : 20250417

starting time : 4.56 h

label : SVS-3909

id : 360856

Solvent : chloroform-D1 (CDCl3)

temperature : 300.0 K

PULPROG : cosygpppqf

number of scans : 1 scans

instrument : spect

Data-Source Molecule ID Data-Source
No additional information available for this Dataset.