| Full text | |
| Author(s): |
Total Authors: 3
|
| Affiliation: | [1] Univ Estadual Campinas, Inst Quim, CP 6154, BR-13084971 Campinas, SP - Brazil
[2] Univ Nacl Rosario, CONICET, Fac Ciencias Bioquim & Farmaceut, Inst Quim Rosario, Suipacha 531, S2002LRK, Rosario, Santa Fe - Argentina
Total Affiliations: 2
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| Document type: | Journal article |
| Source: | Journal of the Brazilian Chemical Society; v. 29, n. 5, p. 1041-1075, MAY 2018. |
| Web of Science Citations: | 1 |
| Abstract | |
Quantum chemical calculations of nuclear magnetic resonance (NMR) shifts and coupling constants have been extensively employed in recent years mainly to facilitate structural elucidation of organic molecules. When the results of such calculations are used to determine the most likely structure of a natural product in advance, guiding the subsequent synthetic work, the term “computer-guided synthesis” could be coined. This review article describes the most relevant examples from recent literature, highlighting the scope and limitations of this merged computational/experimental approach as well. (AU) | |
| FAPESP's process: | 14/25474-8 - Synthesis and biological evualuation of Brevipolide A, Cryptomoskatone F1 and related compounds |
| Grantee: | Franco Della Felice |
| Support Opportunities: | Scholarships in Brazil - Doctorate (Direct) |
| FAPESP's process: | 16/12541-4 - A biomimetic approach to the total synthesis of Stemona alkaloids |
| Grantee: | Ronaldo Aloise Pilli |
| Support Opportunities: | Regular Research Grants |
| FAPESP's process: | 13/07607-8 - OCRC - Obesity and Comorbidities Research Center |
| Grantee: | Licio Augusto Velloso |
| Support Opportunities: | Research Grants - Research, Innovation and Dissemination Centers - RIDC |