Wheldone 是从费氏曲霉和扇形木霉共培养物中分离出来的真菌代谢物，对乳腺癌、黑色素瘤和卵巢癌细胞系表现出细胞毒活性。最初，其结构被表征为一种不寻常的 5-甲基-双环[5.4.0]十一碳-3,5-二烯支架，具有 2-羟基-1-丙酮侧链和 3-(2-(1-羟乙基) -2-甲基-2,5-二氢呋喃-3-基)丙烯酸部分。经过进一步检查，数据中的细微不一致表明需要重新审视该结构。因此，使用正交实验计算方法对 wheldone 的结构进行了修改，该方法结合了 1,1-HD-ADEQUATE NMR 实验、DFT-GIAO 化学位移计算和单晶 X 射线衍射 (SCXRD) 分析。半合成的对溴苯甲酰胺衍生物，通过 Steglich 型反应形成。这些数据的总和现在允许对天然产物的结构和绝对构型进行明确的分配。

Wheldone is a fungal metabolite isolated from the coculture of Aspergillus fischeri and Xylaria flabelliformis, displaying cytotoxic activity against breast, melanoma, and ovarian cancer cell lines. Initially, its structure was characterized as an unusual 5-methyl-bicyclo[5.4.0]undeca-3,5-diene scaffold with a 2-hydroxy-1-propanone side chain and a 3-(2-(1-hydroxyethyl)-2-methyl-2,5-dihydrofuran-3-yl)acrylic acid moiety. Upon further examination, minor inconsistencies in the data suggested the need for the structure to be revisited. Thus, the structure of wheldone has been revised using an orthogonal experimental-computational approach, which combines 1,1-HD-ADEQUATE NMR experiments, DFT-GIAO chemical shift calculations, and single-crystal X-ray diffraction (SCXRD) analysis of a semisynthetic p-bromobenzylamide derivative, formed via a Steglich-type reaction. The summation of these data now permits the unequivocal assignment of both the structure and absolute configuration of the natural product.