Computational data of subtortins A-C
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Three compounds were isolated and newly described as subtortins A-C. Each compound featured 8 stereogenic centers. Absolute configurations were established with a combination of experimental spectroscopies (NMR and ECD) and computational approaches based on GIAO NMR and TDDFT-ECD. This repository contains the Cartesian coordinates of the conformations generated for subtortins A-C, as genuine Gaussian file outputs (.log).
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Zenodo创建时间：
2026-07-03
