20-{[六吡喃糖基-(1->6)六吡喃糖基-(1->2)-6-脱氧-3-O-甲基六吡喃糖基]氧代}-16-羟基孕-5-烯-3-基4-O-(2-O-乙酰基-6-脱氧-3-O-甲基六吡喃糖基)-2,6-二脱氧-3-O-甲基六吡喃糖苷 | 28634-89-1

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 中文名称: 20-{[六吡喃糖基-(1-&gt6)六吡喃糖基-(1-&gt2)-6-脱氧-3-O-甲基六吡喃糖基]氧代}-16-羟基孕-5-烯-3-基4-O-(2-O-乙酰基-6-脱氧-3-O-甲基六吡喃糖基)-2,6-二脱氧-3-O-甲基六吡喃糖苷
• 英文名称: β-thujene
• 英文别名: 4-methyl-1-(1-methylethyl)bicyclo[3.1.0]hex-2-ene；2-thujene；α-thujene；thujene；beta-Thujene；4-methyl-1-propan-2-ylbicyclo[3.1.0]hex-2-ene
• CAS: 28634-89-1
• 化学式: C₁₀H₁₆
• 分子量: 136.237
• InChiKey: GJYKUZUTZNTBEC-UHFFFAOYSA-N

物化性质

• 沸点：
  151.4±7.0 °C(Predicted)
• 密度：
  0.822 g/cm3(Temp: 25 °C)
• 保留指数：
  968;968

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  20-{[六吡喃糖基-(1->6)六吡喃糖基-(1->2)-6-脱氧-3-O-甲基六吡喃糖基]氧代}-16-羟基孕-5-烯-3-基4-O-(2-O-乙酰基-6-脱氧-3-O-甲基六吡喃糖基)-2,6-二脱氧-3-O-甲基六吡喃糖苷 、 alkaline earth salt of/the/ methylsulfuric acid 生成 侧柏烷
  参考文献：
  名称：

  Tschugajew; Fomin, Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, 1910, vol. 151, p. 1058

  摘要：

  DOI：
• 作为产物：
  描述：

  dithiocarbonic acid S-methyl ester-O-thujan-3-yl ester 生成 20-{[六吡喃糖基-(1->6)六吡喃糖基-(1->2)-6-脱氧-3-O-甲基六吡喃糖基]氧代}-16-羟基孕-5-烯-3-基4-O-(2-O-乙酰基-6-脱氧-3-O-甲基六吡喃糖基)-2,6-二脱氧-3-O-甲基六吡喃糖苷
  参考文献：
  名称：

  Tschugajew, Chemische Berichte, 1904, vol. 37, p. 1480

  摘要：

  DOI：

文献信息

• The floral transcriptome of ylang ylang (Cananga odorata var. fruticosa) uncovers biosynthetic pathways for volatile organic compounds and a multifunctional and novel sesquiterpene synthase
  作者：Jingjing Jin、Mi Jung Kim、Savitha Dhandapani、Jessica Gambino Tjhang、Jun-Lin Yin、Limsoon Wong、Rajani Sarojam、Nam-Hai Chua、In-Cheol Jang

  DOI：10.1093/jxb/erv196

  日期：2015.7

  CoTPS3 catalysed the conversion of farnesyl pyrophosphate to α-bergamotene, whereas CoTPS2 was found to be a multifunctional and novel TPS that could catalyse the synthesis of three sesquiterpenes, β-ylangene, β-copaene, and β-cubebene. Additionally, the activities of the two sesqui-TPSs were confirmed in planta by transient expression of these TPS genes in Nicotiana benthamiana leaves by Agrobacterium-mediated

  依兰（Cananga odorata）品种的宜人香气主要归因于花朵产生的挥发性有机化合物（VOC）。花香是植物与昆虫相互作用的关键因素，对于成功授粉至关重要。C.odorata var。fruticosa，或称矮矮伊兰，是一种在南亚流行的小伊兰，是一种带有芳香花朵的小灌木丛。在这里，我们描述了生物信息学和化学分析的结合使用，以发现VOC生物合成途径的基因和相关基因。C. odorata var。的香味花。通过气相色谱/质谱法对金紫苏进行分析，并在花的四个不同阶段共鉴定出49种VOC。这些挥发性有机化合物的大部分是萜烯，主要是倍半萜烯。为了确定参与这些精油生产的各种萜烯合酶（TPS），我们对成熟花进行了RNA测序。从RNA测序数据中，对四个全长TPS进行了功能表征。体外试验表明，这些TPS中有两个是Mono-TPS。CoTPS1从香叶基焦磷酸酯中合成了相应于β-thujene，sabinen
• Zelinsky; Kasanski, Chemische Berichte, 1927, vol. 60, p. 1101
  作者：Zelinsky、Kasanski

  DOI：——

  日期：——
• Kasansky, Chemische Berichte, 1929, vol. 62, p. 2205
  作者：Kasansky

  DOI：——

  日期：——
• Methylmercury and total mercury in estuarine organisms from Rio de Janeiro, Brazil
  作者：Helena do A. Kehrig、Monica Costa、Isabel Moreira、Olaf Malm

  DOI：10.1007/bf02987407

  日期：2001.7

  Guanabara Bay (GB), located in the Rio de Janeiro State, is still a productive estuary on the south-eastern Brazilian coast. It is an ecosystem heavily impacted by organic matter, oil and a number of other toxic compounds, including Hg. The present study aimed to comparatively evaluate the aquatic total mercury (THg) and MeHg contamination, and the ratios of MeHg to THg (% MeHg), in 3 species of marine organisms, Micropogonias furnieri-carnivorous fish (N=81), Mugil spp. - detritivorous fish (N=20) and Perna perna- filter-feeding bivalves (N=190), which are widely consumed by the population. A total of 291 specimens were collected at the bay in different periods between 1988 and 1998. THg concentrations were determined by cold vapour AAS with stannous chloride as a reducing agent. MeHg was extracted by dithizone-benzene and measured by GC-ECD. Analytical quality was checked through certified standards. All organisms presented both low THg and MeHg concentrations and they were below the maximum limit of 1,000 mug Hg(.)kg(-1) wet wt. as established for human intake of predatory fish by the new Brazilian legislation. Carnivorous fish showed higher THg and MeHg concentrations, and also % MeHg in muscle tissues, than organisms with other feeding habits and lower trophic levels. The average of THg concentrations in carnivorous fish was 108.9 +/- 58.6 mug(.)kg(-1) wet wt. (N=61) in 1990 and 199.5 +/- 116.2 mug(.)kg(-1) wet wt. (N=20) in 1998, but they presented different total length and body weights. The average THg content in detritivorous fish was 15.4 +/-5.8 mug(.)kg(-1) wet wt., whereas THg concentrations ranged from 4.1 to 53.5 mug(.)kg(-1) wet wt. for the molluscs. The THg and MeHg contents of mussel varied according to the sampling point and water quality. MeHg concentration in detritivorous fish was similar to MeHg concentration in molluscs, but there was a significant difference in the MeHg/THg ratio: the carnivorous fish presented higher MeHg percentages (98 %) than the detritivorous fish (54%) and the molluscs (33%). Weight-normalised average concentration of THg in carnivorous fish collected in 1990 (0.18 0.08 mug(.)g(-1)/0.7 kg wet wt.) and in 1998 (0.16 +/-0.09 mug(.)g(-1)/0.7 kg wet wt.) presented no significant difference (t=1.34; P <0.5). In conclusion, the low THg and MeHg concentrations in the organisms from the GB ecosystem, are related to its eutrophic conditions and elevated amounts of suspended matter. In this situation, Hg could be strongly complexed or adsorbed by the particulate, which would dilute the Hg inputs and reduce its residence time in the water column, with a consequent decrease in its availability to organisms.
• Kondakow; Skworzow, Zhurnal Russkago Fiziko-Khimicheskago Obshchestva, 1910, vol. 42, p. 504
  作者：Kondakow、Skworzow

  DOI：——

  日期：——

表征谱图