multifidin I | 202066-64-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: multifidin I
• 英文别名: [(2S,3R,4R,5S,6S)-5-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S)-2-methylbutanoyl]oxyoxan-2-yl]oxy-6-methyl-2-[[(1R,3S,5S,6R,7R,8R,20S,22R,24R,25S,26S)-7,25,26-trihydroxy-5,24-dimethyl-10-oxo-20-propyl-2,4,9,21,23-pentaoxatricyclo[20.4.0.03,8]hexacosan-6-yl]oxy]-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl] decanoate
• CAS: 202066-64-6
• 化学式: C₅₉H₁₀₂O₂₅
• 分子量: 1211.44
• InChiKey: VYTPDYPOQLIIJK-NVKSGNTKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.6
• 重原子数：
  84
• 可旋转键数：
  23
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.95
• 拓扑面积：
  353
• 氢给体数：
  9
• 氢受体数：
  25

反应信息

• 作为反应物：
  描述：

  multifidin I 在 sodium carbonate 作用下， 以 甲醇 为溶剂， 反应 1.0h， 以14 mg的产率得到multifidinic acid A
  参考文献：
  名称：

  Resin Glycosides. XXV. Multifidins I and II, New Jalapins, from the Seed of Quamoclit x multifida.

  摘要：

  Alkaline hydrolysis of the ether-soluble resin glycoside fraction of seeds of Quamoclit (Q.) x multifica, a hybrid between Q. pinnata and Q. coccinea, gave new glycosidic acids, multifidinic acids A and B, along with two known glycosidic acids, quamoclinic acid A and operculinic acid A, and three organic acids, (2S)-2-methylbutyric acid, n-decanoic acid and n-dodecanoic acid. Further, as major ether-soluble resin glycosides, new jalapins named multifidins I and II, were isolated accompanied by quamoclins I-IV, which were previously obtained from seeds of Q. pinnata. The structures of multifidins I and II, and multifidinic acids A and B have been determined on the basis of chemical and spectral data.

  DOI：

  10.1248/cpb.45.1955

文献信息

• Resin Glycosides. XXV. Multifidins I and II, New Jalapins, from the Seed of Quamoclit x multifida.
  作者：Masateru ONO、Fumiko HONDA(nee YAMADA)、Ariaki KARAHASHI、Toshio KAWASAKI、Kazumoto MIYAHARA

  DOI：10.1248/cpb.45.1955

  日期：——

  Alkaline hydrolysis of the ether-soluble resin glycoside fraction of seeds of Quamoclit (Q.) x multifica, a hybrid between Q. pinnata and Q. coccinea, gave new glycosidic acids, multifidinic acids A and B, along with two known glycosidic acids, quamoclinic acid A and operculinic acid A, and three organic acids, (2S)-2-methylbutyric acid, n-decanoic acid and n-dodecanoic acid. Further, as major ether-soluble resin glycosides, new jalapins named multifidins I and II, were isolated accompanied by quamoclins I-IV, which were previously obtained from seeds of Q. pinnata. The structures of multifidins I and II, and multifidinic acids A and B have been determined on the basis of chemical and spectral data.