Complete <sup>1</sup>H and <sup>13</sup>C NMR Assignment of the <i>ent</i>‐Labdane 2α‐Hydroxyeperuic Acid Combining Conventional NMR Methods and HiFSA
The complete assignment of <sup>1</sup>H and <sup>13</sup>C spectra of the ent-labdane 2α-hydroxyeperuic acid (3) has been achieved through spin simulation constructed with experimental data obtained from conventional NMR experiments such as <sup>1</sup>H, <sup>13</sup>C, HSQC, HMBC, COSY, NOESY, 1D-TOCSY, and J-resolved (Jres) and data obtained from <sup>1</sup>H iterative full-spin analysis (HiFSA) in the prerelease version of Cosmic Truth (CT), a web-based software for spectral analysis. The combination of experimental and theoretical data is helpful in the complete NMR assignment of molecules where signal overlapping is complicated, as in most natural products.
Authors
- Judit A. Aviña‐Verduzco (ORCID: https://orcid.org/0000-0002-1266-5849)
- Ramón Guzmán‐Mejía (ORCID: https://orcid.org/0000-0001-6703-9995)
- Hugo A. García‐Gutiérrez (ORCID: https://orcid.org/0000-0003-2841-0135)
- José C. Espinoza‐Hicks (ORCID: https://orcid.org/0000-0002-9947-8439)
- Julio C. Ontiveros‐Rodríguez (ORCID: https://orcid.org/0000-0002-1780-1854)
- Concepción Armenta‐Salinas (ORCID: https://orcid.org/0000-0002-7786-4590)
- Carlos M. Cerda‐García‐Rojas (ORCID: https://orcid.org/0000-0002-5590-7908)
- Francisco Juárez‐Carrillo (ORCID: https://orcid.org/0009-0007-2285-1331)
- Mónica Luna‐Vázquez
Institutions
- Autonomous University of Chihuahua (MX)
- Universidad Michoacana de San Nicolás de Hidalgo (MX)
- Instituto Politécnico Nacional (MX)
- Centro de Investigación y de Estudios Avanzados del Instituto Politécnico Nacional (MX)
Publication Details
- Journal
- Magnetic Resonance in Chemistry
- Published
- 2025-03-11
- DOI
- https://doi.org/10.1002/mrc.5519
- Citations
- 3
- Primary Topic
- Molecular spectroscopy and chirality
- Type
- article
- Field-Weighted Citation Impact
- 1.51