| Full text | |
| Author(s): |
Ferreira, Alexsandro Euripedes
[1]
;
Ferreira Soares Rocha, Ana Carolina
[1]
;
Bastos, Jairo Kenupp
[2]
;
Gomes Heleno, Vladimir Constantino
[1]
Total Authors: 4
|
| Affiliation: | [1] Univ Franca, Grp Pesquisa Prod Nat, BR-14404600 Franca, SP - Brazil
[2] Univ Sao Paulo, Fac Ciencias Farmaceut Ribeirao Preto, BR-14040903 Ribeirao Preto, SP - Brazil
Total Affiliations: 2
|
| Document type: | Journal article |
| Source: | Journal of Molecular Structure; v. 1228, MAR 15 2021. |
| Web of Science Citations: | 2 |
| Abstract | |
This work describes a methodology for the complete assignment of H-1 and C-13 NMR data of poorly functionalized molecules through spectral simulations conducted with computer programs available for free. We have been able to achieve the complete assignment, including the clarification of multiplicities and the determination of all the hydrogen homonuclear coupling constants, which is not common for poorly functionalized compounds. We have performed H-1 NMR, C-13[H-1] NMR, DEPT-135, gCOSY, gHSQC, gHMBC, NOESY, and J resolved experiments and obtained the required dataset for the complete and unequivocal assignment of the spectra of ent-copalic acid. (C) 2020 Elsevier B.V. All rights reserved. (AU) | |
| FAPESP's process: | 11/13630-7 - Chemical and pharmacological validation of extracts and active compounds of Copaifera species |
| Grantee: | Jairo Kenupp Bastos |
| Support Opportunities: | Research Projects - Thematic Grants |