hexadecane-1,7,16-triol | 58115-25-6

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: hexadecane-1,7,16-triol
• 英文别名: hexadecane triol；1,16-dihydroxyhexadecan-7-ol；Hexadecane-1,7,16-triol
• CAS: 58115-25-6
• 化学式: C₁₆H₃₄O₃
• 分子量: 274.444
• InChiKey: RKSTWDZUIGHKJJ-UHFFFAOYSA-N

物化性质

• 沸点：
  428.3±15.0 °C(Predicted)
• 密度：
  0.961±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  19
• 可旋转键数：
  15
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  60.7
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  hexadecane-1,7,16-triol 在 chromium trioxide-pyridine complex 作用下， 以 吡啶 为溶剂， 生成 7-ketohexadecane-1,16-dicarboxylic acid
  参考文献：
  名称：

  Constituent of pollen. XIII Constituents of Cedrus deodara Loud. (2)

  摘要：

  从欧洲雪松（Cedrus deodara LOUD.）的花粉粒中发现了五种已知化合物、分离出了五种已知化合物：脱氢松香酸（I）、15-羟基脱氢松香酸（II）、7α，18-二羟基脱氢松香醇（IV）、柚皮苷（VI）和 β-谷甾醇 β-D-葡萄糖苷（VII），以及两种新化合物：7β，15-二羟基脱氢松香酸（III）和十六烷-1，16-二醇 7-咖啡酰酯（V）。根据光谱研究和化学证据阐明了 III 和 V 的结构。

  DOI：

  10.1248/cpb.35.229
• 作为产物：
  描述：

  1,1,16,16-tetramethoxy-hexadecan-7-ol 在 盐酸 、 sodium tetrahydroborate 作用下， 以 甲醇 、 丙酮 为溶剂， 生成 hexadecane-1,7,16-triol
  参考文献：
  名称：

  Novel p-coumaric acid esters from Pinus densiflora pollen

  摘要：

  DOI：

  10.1016/s0031-9422(00)88660-4

文献信息

• Ginkwanghols A and B, osteogenic coumaric acid-aliphatic alcohol hybrids from the leaves of Ginkgo biloba
  作者：Kwang Ho Lee、Jung Kyu Kim、Jae Sik Yu、Se Yun Jeong、Jin Hee Choi、Jin-Chul Kim、Yoon-Joo Ko、Seon-Hee Kim、Ki Hyun Kim

  DOI：10.1007/s12272-021-01329-3

  日期：2021.5

  traditional medicine and as a source of food. As part of ongoing research to explore the chemical diversity and biologically active compounds from natural resources, two new coumaric acid-aliphatic alcohol hybrids, ginkwanghols A (1) and B (2) were isolated from the leaves of G. biloba. The coumaric acid-aliphatic alcohol hybrids of natural products have rarely been reported. The structures of the new compounds

  银杏（Ginkgoaceae），俗称“银杏”，被称为活化石，早在人类历史上就被栽培用于传统医学的各种用途和食物来源。作为探索自然资源中化学多样性和生物活性化合物的正在进行的研究的一部分，从G. biloba的叶子中分离出了两种新的香豆酸-脂肪醇杂种，即银杏醇 A ( 1 ) 和 B ( 2 ). 天然产物的香豆酸-脂肪醇杂化物鲜有报道。新化合物的结构是通过广泛的 NMR 光谱分析、HRESI-MS 和量子化学 ECD 计算确定的，并将化学转化的化合物1a的实验 HRESI-MS/MS 光谱与提出的预测 HRESI-MS/MS 光谱进行比较来自 CFM-ID 3.0，一种用于 MS/MS 光谱预测和基于 MS 的化合物鉴定的软件工具。Ginkwanghols A ( 1 ) 和 B ( 2）以剂量依赖性方式增加 C3H10T1/2（一种小鼠​​间充质干细胞系）中碱性磷酸酶 (ALP) 的产生
• Alkyl Cinnamates from Pollen of Pinus sylvestris
  作者：D. N. Olennikov、V. M. Shishmarev、V. G. Shiretorova

  DOI：10.1007/s10600-023-03957-1

  日期：2023.3
• MULTIFUNCTIONAL FATTY ACID DERIVATIVES AND BIOSYNTHESIS THEREOF
  申请人：Genomatica, Inc.

  公开号：EP3810778A1

  公开（公告）日：2021-04-28
• Extracts of Curcuma and Methods of Use Thereof
  申请人：Alberte Randall S.

  公开号：US20100098788A1

  公开（公告）日：2010-04-22

  The present invention relates in part to turmeric extracts that are useful for treating or preventing neurodegenerative disorders. Another aspect of the invention relates in part to turmeric extracts that are useful for treating or preventing inflammatory disorders. In some embodiments, the extracts comprise at least one compound selected from the group consisting of 25 to 500 μg bamosamine, 25 to 750 μg echinaxanthol, 100 to 3,000 μg bisdemethoxycurcumin, 50 to 500 μg daphniyunnine E and 500 to 75,000 μg curcumin per 100 mg of extract. Another aspect of the invention relates to pharmaceutical compositions comprising the aforementioned extracts. Another aspect of the invention relates to methods of treating or preventing neurodegenerative disorders comprising administering to a subject in need thereof an effective amount of the aforementioned extracts or compositions. Another aspect of the invention relates to methods of making the aforementioned extracts.
• Multifunctional Fatty Acid Derivatives And Biosynthesis Thereof
  申请人：Genomatica, Inc.

  公开号：US20210189439A1

  公开（公告）日：2021-06-24

  The disclosure relates to the field of specialty chemicals and methods for their synthesis. In embodiments, the disclosure provides novel multifunctional fatty acid derivative molecules such as e.g., fatty triols, fatty tetrols, dihydroxy fatty acids, etc. The disclosure further provides derivatives of the disclosed multifunctional molecules which are useful e.g., in the production of personal care products, surfactants, detergents, polymers, paints, coatings, and as emulsifiers, emollients, and thickeners in cosmetics and foods, as industrial solvents and plasticizers, etc. The disclosure further provides biochemical pathways, recombinant microorganisms and methods for the biological production of various multifunctional fatty acid derivatives.