Dataset

(9S)-6-Methoxycinchonan-9-ol[19_2]

Chemical Information

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

• (9S)-6-Methoxycinchonan-9-ol[19_2]HTML
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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.57992/nmrxiv.p136.s1380.d6059
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D6059
Version
Author
Maintainer
Language	english
MetadataPublished	2025-09-23T17:02:35.000000Z
Related Molecule

Field	Value
Measurement Technique	noesy
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 : 297.9 K magnetic field strength : 14.096654370315882 Tesla number of scans : 12 scans nuclear magnetic resonance pulse sequence : noesygpph Spectral Width : [10.809496964322, 10.8094967757188] 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
408609	bindingdb
408629	bindingdb
408647	bindingdb
408666	bindingdb
408685	bindingdb
413065	bindingdb
50021094	bindingdb
50368880	bindingdb
50371125	bindingdb
50371126	bindingdb
50371130	bindingdb
50405853	bindingdb
50433732	bindingdb
50459695	bindingdb
50496959	bindingdb
50501822	bindingdb
50506825	bindingdb
50522629	bindingdb
50542740	bindingdb
50608034	bindingdb
50724014	bindingdb
50739592	bindingdb
50770393	bindingdb
50773510	bindingdb
50775165	bindingdb
50775737	bindingdb
50777176	bindingdb
50903199	bindingdb
50945476	bindingdb
51032991	bindingdb
51032994	bindingdb
51032996	bindingdb
51033076	bindingdb
51033078	bindingdb
51033081	bindingdb
51033085	bindingdb
51033089	bindingdb
51033280	bindingdb
51033287	bindingdb
51033289	bindingdb
51033695	bindingdb
51033696	bindingdb
51034286	bindingdb
51034292	bindingdb
51034348	bindingdb
51035908	bindingdb
51036184	bindingdb
51036192	bindingdb
51036198	bindingdb
51036208	bindingdb
51036215	bindingdb
51036216	bindingdb
51036231	bindingdb
51036232	bindingdb
51037651	bindingdb
51037653	bindingdb
51037690	bindingdb
51038772	bindingdb
51040669	bindingdb
51079107	bindingdb
51126275	bindingdb
51170667	bindingdb
51180566	bindingdb
51180573	bindingdb
51180592	bindingdb
51180744	bindingdb
51180756	bindingdb
51210743	bindingdb
51212198	bindingdb
51236037	bindingdb
51259930	bindingdb
51267104	bindingdb
51267849	bindingdb
51272623	bindingdb
51275131	bindingdb
51301243	bindingdb
51301247	bindingdb
51301390	bindingdb
51301765	bindingdb
51307728	bindingdb
51307759	bindingdb
51322653	bindingdb
51339305	bindingdb
51352078	bindingdb
51373549	bindingdb
51386134	bindingdb
51398163	bindingdb
51407496	bindingdb
51422908	bindingdb
51430892	bindingdb
51437709	bindingdb
51439735	bindingdb
51447100	bindingdb
51454345	bindingdb
51468810	bindingdb
51481677	bindingdb
51486578	bindingdb
51494093	bindingdb
51495413	bindingdb
51497840	bindingdb
51503921	bindingdb
51510654	bindingdb
51533675	bindingdb
51541944	bindingdb
Molport-003-804-058	molport
2346	drugcentral
The data in this table is sourced from UniChem at EBI.