Isopropyl Tetradecenoate | 176047-39-5

• 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: Isopropyl Tetradecenoate
• 英文别名: propan-2-yl (E)-tetradec-2-enoate
• CAS: 176047-39-5
• 化学式: C₁₇H₃₂O₂
• 分子量: 268.44
• InChiKey: KSCYLFXYJWJDOI-CCEZHUSRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7
• 重原子数：
  19
• 可旋转键数：
  13
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.82
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  Isopropyl Tetradecenoate 在 四氧化锇 、 N-甲基吗啉氧化物 、 sodium sulfite 作用下， 生成
  参考文献：
  名称：

  Aciculitins A−C:  Cytotoxic and Antifungal Cyclic Peptides from the Lithistid Sponge Aciculites orientalis

  摘要：

  The lithistid sponge Aciculites orientalis contains three cyclic peptides, aciculitins A-C (1-3), that are identical except for homologous lipid residues. The structure of the major peptide, aciculitin B (2), was elucidated by interpretation of spectroscopic data. The aciculitins consist of a bicyclic peptide that contains an unusual histidino-tyrosine bridge. Attached to the bicyclic peptide are C-13-C-15 2,3-dihydroxy-4,6-dienoic acids bearing D-lyxose at the 3-position. The structures of aciculitamides A (4) and B (5), which are artifacts obtained earlier from this sponge, are also presented. The aciculitins 1--3 inhibited the growth of Candida albicans and were cytotoxic toward the HCT-116 cell line.

  DOI：

  10.1021/ja953628w
• 作为产物：
  描述：

  十二醛 在 吡啶 、 甲醇 、 lithium hydroxide 、 草酰氯 、 N,N-二甲基甲酰胺 作用下， 以 二氯甲烷 、 甲苯 为溶剂， 反应 6.5h， 生成 Isopropyl Tetradecenoate
  参考文献：
  名称：

  Aciculitins A−C:  Cytotoxic and Antifungal Cyclic Peptides from the Lithistid Sponge Aciculites orientalis

  摘要：

  The lithistid sponge Aciculites orientalis contains three cyclic peptides, aciculitins A-C (1-3), that are identical except for homologous lipid residues. The structure of the major peptide, aciculitin B (2), was elucidated by interpretation of spectroscopic data. The aciculitins consist of a bicyclic peptide that contains an unusual histidino-tyrosine bridge. Attached to the bicyclic peptide are C-13-C-15 2,3-dihydroxy-4,6-dienoic acids bearing D-lyxose at the 3-position. The structures of aciculitamides A (4) and B (5), which are artifacts obtained earlier from this sponge, are also presented. The aciculitins 1--3 inhibited the growth of Candida albicans and were cytotoxic toward the HCT-116 cell line.

  DOI：

  10.1021/ja953628w

文献信息

• Aciculitins A−C:  Cytotoxic and Antifungal Cyclic Peptides from the Lithistid Sponge <i>Aciculites </i><i>orientalis</i>
  作者：Carole A. Bewley、Haiyin He、David H. Williams、D. John Faulkner

  DOI：10.1021/ja953628w

  日期：1996.1.1

  The lithistid sponge Aciculites orientalis contains three cyclic peptides, aciculitins A-C (1-3), that are identical except for homologous lipid residues. The structure of the major peptide, aciculitin B (2), was elucidated by interpretation of spectroscopic data. The aciculitins consist of a bicyclic peptide that contains an unusual histidino-tyrosine bridge. Attached to the bicyclic peptide are C-13-C-15 2,3-dihydroxy-4,6-dienoic acids bearing D-lyxose at the 3-position. The structures of aciculitamides A (4) and B (5), which are artifacts obtained earlier from this sponge, are also presented. The aciculitins 1--3 inhibited the growth of Candida albicans and were cytotoxic toward the HCT-116 cell line.