Dataset

(9S)-6-Methoxycinchonan-9-ol[19]

This dataset contains NMR spectra obtained for the sample containing (9S)-6-Methoxycinchonan-9-ol

InChI	InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14-,19+,20-/m0/s1
SMILES	C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](O)C1=C2C=C(OC)C=CC2=NC=C1
InChI Key	LOUPRKONTZGTKE-LHHVKLHASA-N
Molecular Formula	C20H24N2O2
Exact Mass	324.400 g/mol

Data and Resources

Field	Value
DOI	10.57992/nmrxiv.p136.s1380.d6058
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D6058
Version
Author
Maintainer
Language	english
MetadataPublished	2025-09-23T17:02:35.000000Z
Related Molecule

Field	Value
Measurement Technique	correlation spectroscopy
Measurement Variables	NMR solvent : CDCl3 acquisition nucleus : ['1H', '1H'] NMR spectrum by dimensionality : 2 NMR probe : 5 mm TBI 1H/31P/D-BB Z-GRD Z8704/0003 Temperature : 298 K magnetic field strength : 14.096654370315882 Tesla number of scans : 14 scans nuclear magnetic resonance pulse sequence : cosygpqf Spectral Width : [10.809496964322, 10.804823597714] number of data points : [2048, 512] points relaxation time measurement : 1.5 seconds

Data-Source Molecule ID	Data-Source
DB00908	drugbank
CHEBI:28593	chebi
QDN	rcsb_pdb
CHEMBL1294	chembl
15943	surechembl
15944	surechembl
29373489	surechembl
441074	pubchem
ITX08688JL	fdasrs
PD002895	probes_and_drugs
BOMDUC	CCDC
145069	brenda
145983	brenda
229835	brenda
229836	brenda
4861	brenda
HMDB0015044	hmdb
Molport-003-804-058	molport
2346	drugcentral
50121975	bindingdb
The data in this table is sourced from UniChem at EBI.