Preliminary analysis of the mass spectrometric (MS) and NMR spectroscopic data of the primary fractions from the biologically active extract of Salvia decora revealed spectra that are characteristic for neo-clerodane-type diterpenoids. MS-guided isolation of the bioactive fractions led to the isolation of three new chemical entities, including two hydroxy-neo-clerodanes (1 and 2) and one acylated 5,10-seco-neo-clerodane (3), along with three known diterpenoids (4–6), ursolic acid (7), and eupatorin (8). The structures of the new compounds were established by analysis of the 1D and 2D NMR and MS data, whereas their absolute configuration was deduced using a combination of experimental and theoretical ECD data and confirmed by X-ray crystallography (1 and 4). Furthermore, compounds 1, 3, 4, and 6–8 were evaluated as hPTP1B_1–400 (human protein tyrosine phosphatase) inhibitors, where 7 showed the best activity, with an IC₅₀ value in the lower μM range. Additionally, compound 7 was evaluated as an α-glucosidase inhibitor. The affinity constant of the 7-hPTP1B_1–400 complex was determined by quenching fluorescence experiments (k_a = 1.3 × 10⁴ M^–1), while the stoichiometry ratio (1:1 protein–ligand) was determined by a continuous variation method.

中文翻译：

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来自 Salvia decora 的 Hydroxy-neo-Clerodanes 和 5,10-seco-neo-Clerodanes。

对来自丹参生物活性提取物的主要部分的质谱 (MS) 和 NMR 光谱数据的初步分析揭示了新氯罗丹型二萜的特征光谱。导致三个新化学实体的分离的生物活性组分的MS-引导隔离，其中包括两个羟基新-clerodanes（1和2）和一个酰化5,10-开环-新-clerodane（3），具有三个沿已知二萜类化合物 ( 4 – 6 )、熊果酸 ( 7 ) 和 euupatorin ( 8 )）。新化合物的结构是通过分析 1D 和 2D NMR 和 MS 数据确定的，而它们的绝对构型是使用实验和理论 ECD 数据推导出来的，并通过 X 射线晶体学证实（1和4）。此外，化合物1，3，4，和6 - 8被评价为ħ PTP1B _1-400（人蛋白酪氨酸磷酸酶）抑制剂，其中7显示出最好的活性，具有的IC ₅₀在较低的μM范围内的值。此外，化合物7被评价为α-葡萄糖苷酶抑制剂。7 - h PTP1B _1-400复合物的亲和常数通过淬灭荧光实验确定（k _a = 1.3 × 10 ⁴ M ^–1），而化学计量比（1:1 蛋白质-配体）由连续变化确定方法。