This paper presents a methodology of molecular construction and characterization of the cutinite from Luquan cutinitic liptobiolith. The structural skeleton parameters of the cutinite were determined by ¹³C NMR, FTIR, and XPS. The results indicate that the aromaticity of the cutinite residue which was obtained from cutinite by solvent extraction (sequential using methanol, acetone, NMP/CS₂ (1:1), and cyclohexanone) was 0.3606. The ratio of bridge/surrounding carbon of cutinite residue was 0.083, implying that structural skeleton of cutinite had 1–2 aromatic rings mainly in the type of naphthalene and benzene. The cutinite residue had higher aliphatic carbon (58.18%) than aromatic carbon (36.06%), thus the structure parameters had low aromatic carbon ratio. The proportion of O –H, C– C=O, and COOR groups in the structural skeleton model was 4:7:9:6, and the mainly nitrogen-containing structures exist in the form of pyrrolic and pyridinic species (2:1). The structure parameters of small molecule in cutinite were determined by GC-MS. The results showed that the small molecule component was mainly composed of 1–2 rings aromatics and linear alkane. The cutinite structure model was constructed by the skeleton parameters combining with small molecule compounds. The cutinite was a cross-linked structure of three fragments, containing cycloalkane, aromatic, and hydroxy or dihydroxy fatty acids. The cutinite molecular skeleton also contained C₁₂-C₁₈ fatty acids and esters, dibasic acids and coumaric acid. The structural skeleton model of cutinite was simulated by Materials Studio and had a molecular formula of C₁₉₅H₂₃₁N₃O₃₂.

本文提出了一种来自鹿泉角质脂状生物岩的角质岩的分子构造和表征方法。通过¹³ C NMR，FTIR和XPS确定角质石的结构骨架参数。结果表明，通过溶剂萃取（依次使用甲醇，丙酮，NMP / CS _2）从角质土获得的角质土残留物的芳香性（1：1）和环己酮）为0.3606。角质石残渣的桥碳/周围碳之比为0.083，这表明角质石的结构骨架主要具有萘和苯类型，具有1-2个芳环。角质体残渣具有比芳族碳（36.06％）高的脂肪族碳（58.18％），因​​此结构参数具有低芳族碳比。结构骨架模型中的O–H，CC–O和COOR基团的比例为4：7：9：6，并且主要的含氮结构以吡咯和吡啶鎓形式存在（2：1 ）。用GC-MS测定角质石中小分子的结构参数。结果表明，小分子组分主要由1-2个环芳烃和直链烷烃组成。通过骨架参数结合小分子化合物构建了角质结构模型。所述角质石是三个片段的交联结构，其包含环烷烃，芳族以及羟基或二羟基脂肪酸。角质分子骨架也含有C₁₂ -C ₁₈脂肪酸和酯，二元酸和香豆酸。角质土的结构骨架模型由Materials Studio模拟，分子式为C ₁₉₅ H ₂₃₁ N ₃ O ₃₂。