methyl (11S)-11-[(2S,3R,4S,5R)-4,5-diacetyloxy-3-[(2S,3R,4R,5S,6S)-3,4-diacetyloxy-5-[(2S,3R,4R,5S,6S)-3-acetyloxy-6-methyl-4-[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-5-[(2S,3R,4R,5S,6S)-3,4,5-triacetyloxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxyhexadecanoate | 132333-88-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: methyl (11S)-11-[(2S,3R,4S,5R)-4,5-diacetyloxy-3-[(2S,3R,4R,5S,6S)-3,4-diacetyloxy-5-[(2S,3R,4R,5S,6S)-3-acetyloxy-6-methyl-4-[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-5-[(2S,3R,4R,5S,6S)-3,4,5-triacetyloxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxyhexadecanoate
• CAS: 132333-88-1
• 化学式: C₇₀H₁₀₆O₃₆
• 分子量: 1523.59
• InChiKey: KVIGMJMVGYLQDO-BQHZFWGTSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  106
• 可旋转键数：
  50
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.81
• 拓扑面积：
  434
• 氢给体数：
  0
• 氢受体数：
  36

反应信息

• 作为产物：
  描述：

  乙酸酐 、 Operculinic acid D methyl ester 在 吡啶 作用下， 以24 mg的产率得到methyl (11S)-11-[(2S,3R,4S,5R)-4,5-diacetyloxy-3-[(2S,3R,4R,5S,6S)-3,4-diacetyloxy-5-[(2S,3R,4R,5S,6S)-3-acetyloxy-6-methyl-4-[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-5-[(2S,3R,4R,5S,6S)-3,4,5-triacetyloxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxyhexadecanoate
  参考文献：
  名称：

  Resin glycosides. VIII. Four new glycosidic acids, operculinic acids D,E,F, and G, of the ether-soluble crude resin glycosides ("Jalapin") from Rhizoma Jalapae Braziliensis(roots of Ipomoea operculata).

  摘要：

  根据化学和光谱数据，从巴西叶下珠（Ipomoea operculata）根茎的醚溶性粗树脂苷（“jalapin”）的碱性水解产物中分离出四种糖苷酸，即D、E、F和G型operculin酸。它们分别被鉴定为11S-jalapinolic acid 11-O-β-D-glucopyranosyl-(1→3)-O-[α-L-rhamnopyranosyl-(1→4)]-O-α-L-rhamnopyranosyl-(1→4)-O-α-L-rhamnopyranosyl-(1→2)-β-D-xylopyranoside、11S-jalapinolic acid 11-O-α-L-rhamnopyranosyl-(1→4)-O-α-L-rhamnopyranosyl-(1→4)-O-α-L-rhamnopyranosyl-(1→2)-β-D-glucopyranoside、11S-jalapinolic acid 11-O-α-L-rhamnopyranosyl-(1→4)-O-α-L-rhamnopyranosyl-(1→4)-O-α-

  DOI：

  10.1248/cpb.38.2650

文献信息

• ONO, MASATERU;FUKUNAGA, TOMOJI;KAWASAKI, TOSHIO;MIYAHARA, KAZUMOTO, CHEM. AND PHARM. BULL., 38,(1990) N0, C. 2650-2655
  作者：ONO, MASATERU、FUKUNAGA, TOMOJI、KAWASAKI, TOSHIO、MIYAHARA, KAZUMOTO

  DOI：——

  日期：——