Dataset

distortionless enhancement with polarization transfer (DEPT)

dataset for distortionless enhancement with polarization transfer (DEPT)

Chemical Information

molecular Image
InChI InChI=1S/C20H26O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,12,15-18,22H,4-11H2,2H3/t15-,16+,17+,18-,19-,20-/m0/s1
SMILES C#C[C@]1(O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@H]12
InChI Key VIKNJXKGJWUCNN-XGXHKTLJSA-N
Molecular Formula C20H26O2
Exact Mass 298.419 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/VIKNJXKGJWUCNN-XGXHKTLJSA-N/CHMO0000596.1
License URL
Source https://www.chemotion-repository.net/inchikey/VIKNJXKGJWUCNN-XGXHKTLJSA-N/CHMO0000596.1
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-10-08
Related Molecule
Field Value
Measurement Technique distortionless enhancement with polarization transfer
Measurement Variables
Date : 2025-08-28

Start time : 05:36:39 UTC

Creator : Simone Gräßle

Label : CCP-3746

ID : 384726

Solvent : DMSO

Temperature : 298.000186792574 K K

Puls programme : deptsp135

Number of scans : 256

Instrument : Avance NEO 400

Name : TopSpin

Data-Source Molecule ID Data-Source
DB00717 drugbank
CHEBI:7627 chebi
LMST02030097 lipidmaps
NDR rcsb_pdb
CHEMBL1162 chembl
23390 surechembl
6230 pubchem
T18F433X4S fdasrs
NDR pdbe
PD003185 probes_and_drugs
NETIND CCDC
HMDB0014855 hmdb
DTXSID9023380 comptox
NCT00004763 clinicaltrials
NCT00212277 clinicaltrials
NCT00229996 clinicaltrials
NCT00338052 clinicaltrials
NCT00413764 clinicaltrials
NCT00477633 clinicaltrials
NCT00522873 clinicaltrials
NCT00746096 clinicaltrials
NCT00821496 clinicaltrials
NCT00902746 clinicaltrials
NCT00919919 clinicaltrials
NCT01040845 clinicaltrials
NCT01129102 clinicaltrials
NCT01129102 clinicaltrials
NCT01157182 clinicaltrials
NCT01181726 clinicaltrials
NCT01209143 clinicaltrials
NCT01246791 clinicaltrials
NCT01253824 clinicaltrials
NCT01253824 clinicaltrials
NCT01340625 clinicaltrials
NCT01344369 clinicaltrials
NCT01466114 clinicaltrials
NCT01477632 clinicaltrials
NCT01596010 clinicaltrials
NCT01597986 clinicaltrials
NCT01797055 clinicaltrials
NCT01886443 clinicaltrials
NCT02103569 clinicaltrials
NCT02210702 clinicaltrials
NCT02245438 clinicaltrials
NCT02251041 clinicaltrials
NCT02652650 clinicaltrials
NCT02705963 clinicaltrials
NCT02905890 clinicaltrials
NCT03106454 clinicaltrials
NCT03353857 clinicaltrials
NCT03594604 clinicaltrials
NCT03993613 clinicaltrials
NCT04709094 clinicaltrials
NCT05294341 clinicaltrials
Molport-002-507-131 molport
1962 drugcentral
50148732 bindingdb
The data in this table is sourced from UniChem at EBI.