oxytrogenol acetate | 121994-10-3

• 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: oxytrogenol acetate
• 英文别名: [(2S,4R,4aR,6aR,6aS,6bR,8aR,9S,10S,12aR,14bS)-4,10-diacetyloxy-9-(acetyloxymethyl)-2,4a,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicen-2-yl]methyl acetate
• CAS: 121994-10-3
• 化学式: C₃₈H₅₈O₈
• 分子量: 642.874
• InChiKey: KGGWAVPBEDVQJR-ZTXXVPIRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.3
• 重原子数：
  46
• 可旋转键数：
  10
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.84
• 拓扑面积：
  105
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  sophoraflavoside IV methyl ester 在 吡啶 、 盐酸 、 氢氧化钾 、 三乙基硼氢化锂 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 3.0h， 生成 oxytrogenol acetate
  参考文献：
  名称：

  Studies on the constituents of leguminous plants. Part XXXIII. Three New Oleanene Glycosides from Sophora flavescens.

  摘要：

  从槐树（Sophora flavescens AITON）的新鲜根（豆科植物）中分离出三种新的齐墩果烷苷，槐黄苷 II-IV（2-4），以及槐黄苷 I（1）的相应甲基酯形式。根据化学反应和光谱分析，它们的结构被确定为氧杂蔷薇苷 3-O-α-L-鼠李糖吡喃糖基-(1→2)-β-D-半乳糖吡喃糖基-(1→2)-β-D-葡萄糖醛酸吡喃糖苷（2）、3-O-α-L-鼠李糖吡喃糖基-(1→2)-β-D-半乳糖吡喃糖基-(1→2)-β-D-葡萄糖醛酸吡喃糖苷氧杂蔷薇苷 22-O-α-L-阿拉伯糖吡喃糖苷（3）和 3-O-α-L-鼠李糖吡喃糖基-(1→2)-β-D-半乳糖吡喃糖基-(1→2)-β-D-葡萄糖醛酸吡喃糖苷氧杂蔷薇苷 22-O-β

  DOI：

  10.1248/cpb.40.2990

文献信息

• Studies on the constituents of leguminous plants. Part XXXVI. Triterpene Glycosides from the Bark of Robinia pseudo-acacia L. I.
  作者：Baoliang CUI、Junei KINJO、Toshihiro NOHARA

  DOI：10.1248/cpb.40.2995

  日期：——

  From the bark of Robinia pseudo-acacia L., five new triterpene glycosides, robiniosides A-D (3, 5-7) and compound III (4), were isolated and their structures were elucidated as 3-O-α-L-rhammopyranosyl(1→2)-β-D-glucopyranosyl(1→2)-β-D-glucuronopyranosyl 3β, 22β-dihydroxyolean-12-en-29-oic acid (3), 3-O-α-L-rhamnopyranosyl(1→2)-β-D-galactopyranosyl(1→2)-β-D-glucuronopyranosyl 3β, 22β, 24-trihydroxyolean-12-en-29-oic acid (4), whose sapogenol was unambiguously characterized and designated as oxytrogenin, 3-O-α-L-rhamnopyranosyl(1→2)-β-D-gluco-pyranosyl(1→2)-β-D-glucuronopyranosyl oxytrogenin (5), 3-O-α-L-rhamnopyranosyl(1→2)-β-D-galactopyranosyl(1→2)-β-D-glucuronopyranosyl oxytrogenin 22-O-α-L-rhamnopyranoside (6), 3-O-α-L-rhamnopyranosyl(1→2)-β-D-gluco-pyranosyl(1→2)-β-D-glucuronopyranosyl oxytrogenin 22-O-α-L-rhamnopyranoside (7), respectively, together with two known triterpene glycosides, kaikasaponin III (1) and 3-O-α-L-rhamnopyranosyl(1→2)-β-D-galactopyranosyl(1→2)-β-D-glucuronopyranosyl 3β, 22β-dihydroxyolean-12-en-29-oic acid (2).

  yranosyl(1→2)-β-D-galactopyranosyl(1