%0 Journal Article %1 WOS:A1996UM95900007 %A Militao, JSLT %A Silva, MGD %A deMorais, SM %A Alencar, JW %C CAIXA POSTAL 26037, 05599-970 SAO PAULO, BRAZIL %D 1996 %I SOC BRASILEIRA QUIMICA %J QUIMICA NOVA %K C-13} RMN database; specialist system; {triterpenes %N 2 %P 121-126 %T Contribution to structural determination of triterpenes by computer aid. %V 19 %X A system composed by several routines written in FOXBASIC was developed to be used as a help to structural determination of triterpenes. A database of 1,000 triterpenes belonging to different backbones was built. The fields contain the chemical shift of each carbon in the molecule and a 10 digit hexadecimal code that characterizes the carbon environment. The code with the general formula: (C) under bar.alpha(1) alpha(2) alpha(3) alpha(4). A(1) A(1)E.beta(1) beta(2), where (C) under bar designates the nature of the carbon responsible for the chemical shift and the other symbols represent its chemical environment. This system showed to be useful in structure determination of known and unknown triterpenes.

@article{WOS:A1996UM95900007, abstract = {A system composed by several routines written in FOXBASIC was developed to be used as a help to structural determination of triterpenes. A database of 1,000 triterpenes belonging to different backbones was built. The fields contain the chemical shift of each carbon in the molecule and a 10 digit hexadecimal code that characterizes the carbon environment. The code with the general formula: (C) under bar.alpha(1) alpha(2) alpha(3) alpha(4). A(1) A(1)E.beta(1) beta(2), where (C) under bar designates the nature of the carbon responsible for the chemical shift and the other symbols represent its chemical environment. This system showed to be useful in structure determination of known and unknown triterpenes.}, added-at = {2022-05-23T20:00:14.000+0200}, address = {CAIXA POSTAL 26037, 05599-970 SAO PAULO, BRAZIL}, author = {Militao, JSLT and Silva, MGD and deMorais, SM and Alencar, JW}, biburl = {https://www.bibsonomy.org/bibtex/2ca817501f131553b4f41288bd60f4992/ppgfis_ufc_br}, interhash = {5491740aa23987c21a44f90b46a806ee}, intrahash = {ca817501f131553b4f41288bd60f4992}, issn = {0100-4042}, journal = {QUIMICA NOVA}, keywords = {C-13} RMN database; specialist system; {triterpenes}, number = 2, pages = {121-126}, publisher = {SOC BRASILEIRA QUIMICA}, pubstate = {published}, timestamp = {2022-05-23T20:00:14.000+0200}, title = {Contribution to structural determination of triterpenes by computer aid.}, tppubtype = {article}, volume = 19, year = 1996 }