(4aS,6aR,6aS,6bR,8aR,10S,12aR,14bR)-10-[(2S,3R,4S,5S)-3-[(2S,3R,4R,5S,6S)-4-[(2S,3R,4S,5R)-3,4-dihydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid | 72629-77-7

• 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: (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bR)-10-[(2S,3R,4S,5S)-3-[(2S,3R,4R,5S,6S)-4-[(2S,3R,4S,5R)-3,4-dihydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
• CAS: 72629-77-7；81380-35-0；148020-51-3
• 化学式: C₅₂H₈₄O₂₀
• 分子量: 1029.23
• InChiKey: SQMQSLVVHZAFKJ-ZJULUKIISA-N

物化性质

• 密度：
  1.42±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  72
• 可旋转键数：
  10
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.94
• 拓扑面积：
  313
• 氢给体数：
  11
• 氢受体数：
  20

反应信息

• 作为反应物：
  描述：

  (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bR)-10-[(2S,3R,4S,5S)-3-[(2S,3R,4R,5S,6S)-4-[(2S,3R,4S,5R)-3,4-dihydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid 以16 mg的产率得到
  参考文献：
  名称：

  Studies on the constituents of Clematis species. III. On the saponins of the root of Clematis chinensis Osbeck.

  摘要：

  从金线莲根部的粗皂苷的碱水解产物中分离得到四个三萜原皂苷元,命名为CP2b、CP3b、CP9和CP10。根据化学和物理化学证据,它们被鉴定为:CP2b(I),齐墩果酸3-O-β-D-吡喃木糖基-(1→2)-α-L-吡喃阿拉伯糖苷;CP3b(IV),常春藤苷元3-O-α-L-吡喃鼠李糖基-(1→2)-α-L-吡喃阿拉伯糖苷;CP9(V),齐墩果酸3-O-β-D-吡喃葡萄糖基-(1→4)-β-D-吡喃葡萄糖基-(1→4)-β-D-吡喃核糖基-(1→3)-α-L-吡喃鼠李糖基-(1→2)-α-L-吡喃阿拉伯糖苷;CP10(X),常春藤苷元3-O-β-D-吡喃葡萄糖基-(1→4)-β-D-吡喃葡萄糖基-(1→4)-β-D-吡喃核糖基-(1→3)-α-L-吡喃鼠李糖基-(1→2)-α-L-吡喃阿拉伯糖苷。

  DOI：

  10.1248/cpb.28.3555
• 作为产物：
  描述：

  oleanolic acid 3-O-β-D-glucopyranosyl-(1->4)-β-D-glucopyranosyl-(1->4)-β-D-ribopyranosyl-(1->3)-α-L-rhamnopyranosyl-(1->2)-α-L-arabinopyranoside 在 sodium acetate 、 cellulase 作用下， 以 溶剂黄146 为溶剂， 反应 120.0h， 以30 mg的产率得到(4aS,6aR,6aS,6bR,8aR,10S,12aR,14bR)-10-[(2S,3R,4S,5S)-3-[(2S,3R,4R,5S,6S)-4-[(2S,3R,4S,5R)-3,4-dihydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
  参考文献：
  名称：

  Studies on the constituents of Clematis species. III. On the saponins of the root of Clematis chinensis Osbeck.

  摘要：

  从金线莲根部的粗皂苷的碱水解产物中分离得到四个三萜原皂苷元,命名为CP2b、CP3b、CP9和CP10。根据化学和物理化学证据,它们被鉴定为:CP2b(I),齐墩果酸3-O-β-D-吡喃木糖基-(1→2)-α-L-吡喃阿拉伯糖苷;CP3b(IV),常春藤苷元3-O-α-L-吡喃鼠李糖基-(1→2)-α-L-吡喃阿拉伯糖苷;CP9(V),齐墩果酸3-O-β-D-吡喃葡萄糖基-(1→4)-β-D-吡喃葡萄糖基-(1→4)-β-D-吡喃核糖基-(1→3)-α-L-吡喃鼠李糖基-(1→2)-α-L-吡喃阿拉伯糖苷;CP10(X),常春藤苷元3-O-β-D-吡喃葡萄糖基-(1→4)-β-D-吡喃葡萄糖基-(1→4)-β-D-吡喃核糖基-(1→3)-α-L-吡喃鼠李糖基-(1→2)-α-L-吡喃阿拉伯糖苷。

  DOI：

  10.1248/cpb.28.3555

文献信息

• Studies on the constituents of Clematis species. III. On the saponins of the root of Clematis chinensis Osbeck.
  作者：HARUHISA KIZU、TSUYOSHI TOMIMORI

  DOI：10.1248/cpb.28.3555

  日期：——

  Four triterpenoid prosapogenins named CP2b, CP3b, CP9 and CP10 were isolated from the alkaline hydrolysate of the crude saponin obtained from the root of Clematis chinensis OSBECK. On the basis of chemical and physicochemical evidence, they were characterized as follows : CP2b (I), oleanolic acid 3-O-β-D-xylopyranosyl-(1→2)-α-L-arabinopyranoside ; CP3b (IV), hederagenin 3-O-α-L-rhamnopyranosyl-(1→2)-α-L-arabinopyranoside ; CP9 (V), oleanolic acid 3-O-β-D-glucopyranosyl-(1→4)-β-D-glucopyranosyl-(1→4)-β-D-ribopyranosyl-(1→3)-α-L-rhamnopyranosyl-(1→2)-α-L-arabinopyranoside ; CP10 (X), hederagenin 3-O-β-D-glucopyranosyl-(1→4)-β-D-glucopyranosyl-(1→4)-β-D-ribopyranosyl-(1→3)-α-L-rhamnopyranosyl-(1→2)-α-L-arabinopyranoside.

  从金线莲根部的粗皂苷的碱水解产物中分离得到四个三萜原皂苷元,命名为CP2b、CP3b、CP9和CP10。根据化学和物理化学证据,它们被鉴定为:CP2b(I),齐墩果酸3-O-β-D-吡喃木糖基-(1→2)-α-L-吡喃阿拉伯糖苷;CP3b(IV),常春藤苷元3-O-α-L-吡喃鼠李糖基-(1→2)-α-L-吡喃阿拉伯糖苷;CP9(V),齐墩果酸3-O-β-D-吡喃葡萄糖基-(1→4)-β-D-吡喃葡萄糖基-(1→4)-β-D-吡喃核糖基-(1→3)-α-L-吡喃鼠李糖基-(1→2)-α-L-吡喃阿拉伯糖苷;CP10(X),常春藤苷元3-O-β-D-吡喃葡萄糖基-(1→4)-β-D-吡喃葡萄糖基-(1→4)-β-D-吡喃核糖基-(1→3)-α-L-吡喃鼠李糖基-(1→2)-α-L-吡喃阿拉伯糖苷。