Dataset

Dronabinol[4]

This dataset contains NMR spectra obtained for the sample containing Dronabinol

Chemical Information

InChI	InChI=1S/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h11-13,16-17,22H,5-10H2,1-4H3/t16-,17-/m1/s1
SMILES	CCCCCC1=CC2=C(C(O)=C1)[C@H]1C=C(C)CC[C@@H]1C(C)(C)O2
InChI Key	CYQFCXCEBYINGO-IAGOWNOFSA-N
Molecular Formula	C21H30O2
Exact Mass	314.500 g/mol

Data and Resources

Dronabinol[4]HTML

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Metadata Information

Field	Value
DOI	10.57992/nmrxiv.p42.s1325.d5844
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D5844
Version
Author	Peter Spiteller
Maintainer
Language	english
MetadataPublished	2025-08-31T17:42:30.000000Z
Related Molecule

Field	Value
Measurement Technique
Measurement Variables	NMR solvent : acquisition nucleus : NMR spectrum by dimensionality : NMR probe : Temperature : K magnetic field strength : Tesla number of scans : scans nuclear magnetic resonance pulse sequence : Spectral Width : number of data points : points relaxation time measurement : seconds

Data-Source Molecule ID	Data-Source
DB00470	drugbank
CHEBI:66964	chebi
LMPK13120004	lipidmaps
TCI	rcsb_pdb
CHEMBL465	chembl
29390424	surechembl
4609	surechembl
16078	pubchem
7J8897W37S	fdasrs
PD010009	probes_and_drugs
135425	brenda
224503	brenda
HMDB0014613	hmdb
1465694	bindingdb
1465695	bindingdb
1465696	bindingdb
1465697	bindingdb
1465698	bindingdb
1465699	bindingdb
1465700	bindingdb
1465701	bindingdb
1467262	bindingdb
1467263	bindingdb
350343	bindingdb
417350	bindingdb
50048491	bindingdb
50048496	bindingdb
50048501	bindingdb
50048514	bindingdb
50049408	bindingdb
50083229	bindingdb
50083235	bindingdb
50088272	bindingdb
50088273	bindingdb
50090869	bindingdb
50090877	bindingdb
50165652	bindingdb
50165656	bindingdb
50201393	bindingdb
50244073	bindingdb
50244081	bindingdb
50286381	bindingdb
50286396	bindingdb
50286403	bindingdb
50286407	bindingdb
50313630	bindingdb
50313659	bindingdb
50330030	bindingdb
50339578	bindingdb
50349858	bindingdb
50349868	bindingdb
50377054	bindingdb
50377688	bindingdb
50377773	bindingdb
50387638	bindingdb
50387646	bindingdb
50387652	bindingdb
50387654	bindingdb
50416396	bindingdb
50416495	bindingdb
50416497	bindingdb
50475133	bindingdb
50541221	bindingdb
50541435	bindingdb
50549475	bindingdb
50549489	bindingdb
50567026	bindingdb
50589662	bindingdb
50589663	bindingdb
50644163	bindingdb
50653811	bindingdb
50706183	bindingdb
50706187	bindingdb
50719481	bindingdb
50719510	bindingdb
50729362	bindingdb
50777397	bindingdb
50777403	bindingdb
50782832	bindingdb
50787497	bindingdb
50829687	bindingdb
50865725	bindingdb
50865745	bindingdb
50912952	bindingdb
50919220	bindingdb
50919228	bindingdb
50978054	bindingdb
50978056	bindingdb
51065441	bindingdb
51065466	bindingdb
51147509	bindingdb
51153696	bindingdb
51153713	bindingdb
51160803	bindingdb
51249559	bindingdb
51260730	bindingdb
51268655	bindingdb
51319708	bindingdb
51319727	bindingdb
51365947	bindingdb
51365949	bindingdb
51378925	bindingdb
51378933	bindingdb
51378941	bindingdb
51390079	bindingdb
51430385	bindingdb
51430388	bindingdb
51430390	bindingdb
51430392	bindingdb
51430395	bindingdb
51430398	bindingdb
51430401	bindingdb
51430404	bindingdb
51432022	bindingdb
51525232	bindingdb
51556144	bindingdb
51556146	bindingdb
4109	drugcentral
The data in this table is sourced from UniChem at EBI.