(2R,3S,4S,5R,8R,10R,11S,12S,15R,17R,18S,19S,22R,24R,25S,26S,29R,31R,32S,33S,36R,38R,39S,40S)-2,10,17,24,31,38-六(羟甲基)-1,6,9,13,16,20,23,27,30,34,37,41-十二氧杂六螺[4.2.4~8~.2.4~15~.2.4~22~.2.4~29~.2.4~36~.2~5~]四十二烷-3,4,11,12 | 124277-48-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: (2R,3S,4S,5R,8R,10R,11S,12S,15R,17R,18S,19S,22R,24R,25S,26S,29R,31R,32S,33S,36R,38R,39S,40S)-2,10,17,24,31,38-六(羟甲基)-1,6,9,13,16,20,23,27,30,34,37,41-十二氧杂六螺[4.2.4~8~.2.4~15~.2.4~22~.2.4~29~.2.4~36~.2~5~]四十二烷-3,4,11,12
• 英文名称: cycloinulo-hexaose
• 英文别名: cycloinulohexaose；CF6；(1S,2S,3R,5R,8R,9S,10S,11R,15R,16S,17S,18R,22R,23S,24S,25R,29R,30S,31S,32R,36R,37S,38S,39R)-3,11,18,25,32,39-hexakis(hydroxymethyl)-4,7,12,14,19,21,26,28,33,35,40,42-dodecaoxahexaspiro[4.2.48.2.415.2.422.2.429.2.436.25]dotetracontane-1,2,9,10,16,17,23,24,30,31,37,38-dodecol
• CAS: 124277-48-1
• 化学式: C₃₆H₆₀O₃₀
• 分子量: 972.854
• InChiKey: KTJGGFFFWLNJRH-MPBPJTCYSA-N

物化性质

• 熔点：
  231-233 °C
• 沸点：
  1425.6±65.0 °C(Predicted)
• 密度：
  1.88±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -11.1
• 重原子数：
  66
• 可旋转键数：
  6
• 环数：
  7.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  475
• 氢给体数：
  18
• 氢受体数：
  30

反应信息

• 作为反应物：
  描述：

  (2R,3S,4S,5R,8R,10R,11S,12S,15R,17R,18S,19S,22R,24R,25S,26S,29R,31R,32S,33S,36R,38R,39S,40S)-2,10,17,24,31,38-六(羟甲基)-1,6,9,13,16,20,23,27,30,34,37,41-十二氧杂六螺[4.2.4~8~.2.4~15~.2.4~22~.2.4~29~.2.4~36~.2~5~]四十二烷-3,4,11,12 在 Aspergillus niger endo-inulinase 作用下， 反应 4.0h， 生成 D-fructose
  参考文献：
  名称：

  圆环芽孢杆菌OKUMZ 31B的胞外酶从菊粉中形成环寡糖

  摘要：

  从土壤中分离出的一种环状芽孢杆菌OKUMZ 31B菌株会产生一种细胞外酶，该酶可将菊粉转化为环鞘寡糖。主要产品被鉴定为环己基己糖。该酶被任意地命名为环脂寡糖果糖转移酶。

  DOI：

  10.1016/0008-6215(89)85167-5
• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 在 Bacillus circulans OKUMZ 31B 作用下， 以 甲苯 为溶剂， 反应 96.0h， 生成 (2R,3S,4S,5R,8R,10R,11S,12S,15R,17R,18S,19S,22R,24R,25S,26S,29R,31R,32S,33S,36R,38R,39S,40S)-2,10,17,24,31,38-六(羟甲基)-1,6,9,13,16,20,23,27,30,34,37,41-十二氧杂六螺[4.2.4~8~.2.4~15~.2.4~22~.2.4~29~.2.4~36~.2~5~]四十二烷-3,4,11,12
  参考文献：
  名称：

  圆环芽孢杆菌OKUMZ 31B的胞外酶从菊粉中形成环寡糖

  摘要：

  从土壤中分离出的一种环状芽孢杆菌OKUMZ 31B菌株会产生一种细胞外酶，该酶可将菊粉转化为环鞘寡糖。主要产品被鉴定为环己基己糖。该酶被任意地命名为环脂寡糖果糖转移酶。

  DOI：

  10.1016/0008-6215(89)85167-5

文献信息

• Amphiphilic Cycloinulohexaose: Preparation, Surface-Active Properties, and Complexing Abilities toward Various Metal Chlorides
  作者：Toshiyuki Kida、Yasuhiko Inoue、Wanbin Zhang、Yohji Nakatsuji、Isao Ikeda

  DOI：10.1246/bcsj.71.1201

  日期：1998.5

  cmcs of compounds 1b and 2b were increased by the addition of either KCl, RbCl, or BaCl2, though they were decreased by the addition of LiCl or NaCl. These results indicate that compounds 1b and 2b complex with K+, Rb+, or Ba2+ in wa...

  单-6-O-酰化环菊六糖1和单-6-O-烷基化环菊六糖2分别通过环菊六糖与长链酰氯和长链烷基溴反应制备。这些两亲性环菊糖六糖显示出良好的水溶性。通过染料法测定的每种两亲化合物的临界胶束浓度（cmc）随着烷基链长度的增加而降低。化合物2的胶束形成能力高于疏水部分碳数相同的化合物1。用荧光测量获得的单 (6-O-十四酰基) 环菊糖六糖 1b 和单 (6-O-十四烷基) 环菊糖六糖 2b 的聚集数分别为 4.8 和 6.5。化合物 1b 和 2b 的 cmcs 通过添加 KCl、RbCl 或 BaCl2，尽管它们会因添加 LiCl 或 NaCl 而减少。这些结果表明，化合物 1b 和 2b 与 K+、Rb+ 或 Ba2+ 形成复合物。
• Production of Novel Branched Cyclofructans by<i>Bacillus subtilis</i>MCI-2834
  作者：Sachiko Kushibe、Makoto Ueda、Yuuki Morimoto

  DOI：10.1271/bbb.60.1677

  日期：1996.1

  Transfructosylated derivatives of cyclofructans (CFs) were synthesized using enzymes from Bacillus subtilis MCI-2834. The structures of the transfer products were analyzed by FBMS spectrometry and 13C-NMR, and HPLC with acid- and enzymatic hydrolysis products. It has been proven that these products are novel branched-chain oligosaccharides composed of cyclohexaose and fructose residues.

  使用来自枯草芽孢杆菌 MCI-2834 的酶合成环果聚糖 (CF) 的转果糖基化衍生物。通过 FBMS 光谱法和 13C-NMR 以及酸水解和酶水解产物的 HPLC 分析转移产物的结构。经证明，该产品是由环己糖和果糖残基组成的新型支链低聚糖。
• Synthesis of methyl 6-O-β-inulotriosyl-α-d-glucopyranoside by intermolecular transglycosylation reaction of cycloinulo-oligosaccharide fructanotransferase
  作者：Mishio Kawamura、Hiroshi Nakai、Takao Uchiyama、Yoshio Takai、Masami Sawada

  DOI：10.1016/s0008-6215(96)00264-9

  日期：1997.1

  cycloinulohexaose and methyl alpha-D-glucopyranoside in the presence of cycloinulo-oligosaccharide fructanotransferase gave some hetero-oligosaccharides. The main product was a tetrasaccharide whose sugar composition was methyl alpha-D-glucopyranoside-D-fructose in a ratio 1:3. This oligosaccharide was isolated from the reaction mixture by charcoal-column chromatography and was identified as methyl O-beta-D-f

  在存在环脂寡糖果糖转移酶的情况下，将环脂六糖和甲基α-D-吡喃葡萄糖苷进行孵育，得到了一些杂寡糖。主要产物是四糖，其糖组成为比例为1：3的甲基α-D-吡喃葡萄糖苷-D-果糖。通过木炭-柱色谱法从反应混合物中分离出该低聚糖，并将其鉴定为甲基O-β-D-果呋喃糖基-（2-→1）-O-β-D-果糖呋喃糖基-（2-→1）-通过二维NMR光谱分析，O-β-D-果呋喃糖基-（2-→6）-α-D-吡喃葡萄糖苷（甲基6-O-β-亚氨基三甲苯基α-D-吡喃葡萄糖苷）。
• [EN] COMPOSITIONS AND METHODS FOR CYCLOFRUCTANS AS SEPARATION AGENTS<br/>[FR] COMPOSITIONS ET PROCÉDÉS POUR DES CYCLOFRUCTANES EN TANT QU'AGENTS DE SÉPARATION
  申请人：UNIV TEXAS

  公开号：WO2010148191A3

  公开（公告）日：2011-05-19
• Effects of various saccharides on cycloinulo-oligosaccharide fructanotransferase reaction: production of β-inulotriosyl-α-d-mannopyranoside and 1-O-β-inulotriosyl-α-l-sorbopyranose
  作者：Mishio Kawamura、Hiroshi Nakai、Takao Uchiyama

  DOI：10.1016/s0008-6215(99)00217-7

  日期：1999.1

  The effects of various saccharides on the reaction of cycloinulo-oligosaccharide fructanotransferase with cycloinu-lohexaose were examined. In addition to beta-D-fructofuranosides and methyl alpha-D-glucopyranoside, D-mannose and L-sorbose were found to be effective acceptors in the reactions, and they enhanced the hydrolytic activity as effectively as methyl alpha-D-glucopyranoside. Hetero-tetrasaccharides were isolated as the major transfer products from both reaction mixtures. The isolates were identified by NMR spectroscopy as beta-inulotriosyl-alpha-D-mannopyranoside and 1-O-beta-inulotriosyl-alpha-L-sorbopyranose. Methyl beta-D-glucopyranoside was slightly effective and methyl alpha-D-mannopyranoside was not effective at all as the acceptor, but these saccharides strongly enhanced the hydrolytic activity. D-Glucosamine inhibited the enzyme activity.