Dataset

ent-Virgilidone (ent-13)[11]

Chemical Information

InChI	InChI=1S/C11H18N2O/c14-11-9-5-8(6-12-7-9)10-3-1-2-4-13(10)11/h8-10,12H,1-7H2/t8-,9+,10+/m1/s1
SMILES	O=C1[C@@H]2CNC[C@@H](C2)[C@@H]2CCCCN12
InChI Key	JTEWAGIMBZUVTB-UTLUCORTSA-N

Data and Resources

• ent-Virgilidone (ent-13)[11]HTML
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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.57992/nmrxiv.p124.s1261.d5430
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D5430
Version
Author	Arses K.; Gibbons W. A.; Phillipson J. D.; Mascagni P.
Maintainer
Language	english
MetadataPublished	2025-08-18T08:13:00.000000Z
Related Molecule

Field	Value
Measurement Technique	13C nuclear magnetic resonance spectroscopy
Measurement Variables	NMR solvent : CDCl3 acquisition nucleus : ['13C'] NMR spectrum by dimensionality : 1 NMR probe : 5 mm CPPBBO BB-1H/19F/D Z-GRD Z122624/0017 Temperature : 292.9988 K magnetic field strength : 11.743848641495527 Tesla number of scans : 512 scans nuclear magnetic resonance pulse sequence : zgpg30 Spectral Width : 236.636866455897 number of data points : 32 points relaxation time measurement : 2 seconds

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