6'-Chloro-10α-hydroxymelleolide | 298702-67-7

• 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
• 英文名称: 6'-Chloro-10α-hydroxymelleolide
• 英文别名: melledonal B；Melleolide L；[(2R,2aS,4aS,7R,7aS,7bR)-3-formyl-2a,7-dihydroxy-6,6,7b-trimethyl-1,2,4a,5,7,7a-hexahydrocyclobuta[e]inden-2-yl] 3-chloro-4,6-dihydroxy-2-methylbenzoate
• CAS: 298702-67-7
• 化学式: C₂₃H₂₇ClO₇
• 分子量: 450.916
• InChiKey: QXPGYRDUXBYJHG-NDVLAHOZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  31
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  124
• 氢给体数：
  4
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  6'-Chloro-10α-hydroxymelleolide 在 sodium tetrahydroborate 作用下， 以 甲醇 为溶剂， 反应 0.5h， 生成 3-Chloro-4,6-dihydroxy-2-methyl-benzoic acid (2R,2aS,4aS,7R,7aS,7bR)-2a,7-dihydroxy-3-hydroxymethyl-6,6,7b-trimethyl-2,2a,4a,5,6,7,7a,7b-octahydro-1H-cyclobuta[e]inden-2-yl ester
  参考文献：
  名称：

  Melleolides K, L and M, New Melleolides from Armillariella mellea.

  摘要：

  Three new sesquiterpenoid aromatic esters designated melleolides K (1), L (2) and M (3) were isolated from the cultured mycelia of Armillariella mellea (Vahl. ex Fr.) Karst. Structures of these compounds were determined on the basis of various NMR spectral data, chemical transformations and X-ray analysis. Compounds 1, 2 and 3 showed antimicrobial activities.

  DOI：

  10.7164/antibiotics.53.137

文献信息

• Melleolides K, L and M, New Melleolides from Armillariella mellea.
  作者：ISAO MOMOSE、RYUICHI SEKIZAWA、NOBUO HOSOKAWA、HIRONOBU IINUMA、SUSUMU MAISUI、HIKARU NAKAMURA、HIROSHI NAGANAWA、MASA HAMADA、TOMIO TAKEUCHI

  DOI：10.7164/antibiotics.53.137

  日期：——

  Three new sesquiterpenoid aromatic esters designated melleolides K (1), L (2) and M (3) were isolated from the cultured mycelia of Armillariella mellea (Vahl. ex Fr.) Karst. Structures of these compounds were determined on the basis of various NMR spectral data, chemical transformations and X-ray analysis. Compounds 1, 2 and 3 showed antimicrobial activities.