<16,28-dihydroxy-23,28-dioxoolean-12-en-3β-yl O-β-D-galactopyranosyl-(1->2)-O-β-D-xylopyranosyl-(1->3)-β-D-glucopyranosid>uronic | 97892-86-9

• 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: <16,28-dihydroxy-23,28-dioxoolean-12-en-3β-yl O-β-D-galactopyranosyl-(1->2)-O-β-D-xylopyranosyl-(1->3)-β-D-glucopyranosid>uronic
• 英文别名: quillaic acid 3--β-D-glucuronopyranoside>；quillaic acid 3-O-β-D-galactopyranosyl-(1->2)-<β-D-xylopyranosyl-(1->3)>-β-D-glucuronopyranoside；quillaic acid 3-O-β-D-xylopyranosyl-(1->3)-[β-D-galactopyranosyl-(1->2)]-β-D-glucuronopyranoside；quillaic acid 3-O-β-D-galactopyranosyl-(1->2)-β-D-xylopyranosyl-(1->3)-β-D-glucoronopyranoside；3-O-β-D-galactopyranosyl-(1→2)-[β-D-xylopyranosyl-(1→3)]-β-D-glucuronopyranosyl quillaic acid；3-O-[β-D-galactopyranosyl(1->2)][β-D-xylopyranosyl(1->3)]-β-D-glucuronopyranosylquillaic acid；beta-D-Glucopyranosiduronic acid, (3beta,4alpha,16alpha)-17-carboxy-16-hydroxy-23-oxo-28-norolean-12-en-3-yl O-beta-D-galactopyranosyl-(1-->2)-O-[beta-D-xylopyranosyl-(1-->3)]-；(2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8R,8aR,12aS,14aR,14bR)-8a-carboxy-4-formyl-8-hydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3-hydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxane-2-carboxylic acid
• CAS: 97892-86-9
• 化学式: C₄₇H₇₂O₂₀
• 分子量: 957.077
• InChiKey: KUOJCJXXMJCHIN-OOIFEJPQSA-N

物化性质

• 熔点：
  206 °C
• 沸点：
  1071.3±65.0 °C(Predicted)
• 密度：
  1.48±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  67
• 可旋转键数：
  10
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  329
• 氢给体数：
  11
• 氢受体数：
  20

反应信息

• 作为反应物：
  描述：

  <16,28-dihydroxy-23,28-dioxoolean-12-en-3β-yl O-β-D-galactopyranosyl-(1->2)-O-β-D-xylopyranosyl-(1->3)-β-D-glucopyranosid>uronic 在 sodium tetrahydroborate 作用下， 以 甲醇 、 水 为溶剂， 反应 2.0h， 生成
  参考文献：
  名称：

  Structure of desacylsaponins obtained from the bark of Quillaja saponaria

  摘要：

  DOI：

  10.1016/s0031-9422(00)81518-6
• 作为产物：
  描述：

  3-O-β-D-galactopyranosyl-(1->2)-<β-D-xylopyranosyl-(1->3)>-β-D-glucuronopyranosyl quillaic acid 28-O-β-D-apiofuranosyl-(1->3)-β-D-xylopyranosyl-(1->4)-<β-D-glucopyranosyl-(1->3)>-α-L-rhamnopyranosyl-(1->2)-β-D-fucopyranoside. 在 氢氧化钾 作用下， 以 乙醇 为溶剂， 反应 7.0h， 生成 <16,28-dihydroxy-23,28-dioxoolean-12-en-3β-yl O-β-D-galactopyranosyl-(1->2)-O-β-D-xylopyranosyl-(1->3)-β-D-glucopyranosid>uronic
  参考文献：
  名称：

  Structure of desacylsaponins obtained from the bark of Quillaja saponaria

  摘要：

  DOI：

  10.1016/s0031-9422(00)81518-6

文献信息

• [EN] TRITERPENE SAPONIN ANALOGUES<br/>[FR] ANALOGUES DE SAPONINE TRITERPÉNIQUE
  申请人：ADJUVANCE TECH INC

  公开号：WO2017079582A1

  公开（公告）日：2017-05-11

  The present application relates to triterpene glycoside saponin-derived adjuvants, syntheses thereof, and intermediates thereto. The application also provides pharmaceutical compositions comprising compounds of the present invention and methods of using said compounds or compositions in the treatment of and immunization for infectious diseases.

  本申请涉及三萜糖苷皂素来源的佐剂、其合成方法及其中间体。本申请还提供了包含本发明化合物的药物组合物，以及使用所述化合物或组合物治疗传染病和免疫接种的方法。
• Kim, Youn Chul; Higuchi, Ryuichi; Komori, Tetsuya, Liebigs Annalen der Chemie, 1992, # 5, p. 453 - 460
  作者：Kim, Youn Chul、Higuchi, Ryuichi、Komori, Tetsuya

  DOI：——

  日期：——
• Higuchi, Ryuichi; Tokimitsu, Yoshinori; Hamada, Naoko, Liebigs Annalen der Chemie, 1985, # 5, p. 1192 - 1201
  作者：Higuchi, Ryuichi、Tokimitsu, Yoshinori、Hamada, Naoko、Komori, Tetsuya、Kawasaki, Toshio

  DOI：——

  日期：——
• Structure of desacylsaponins obtained from the bark of Quillaja saponaria
  作者：Ryuichi Higuchi、Yoshinori Tokimitsu、Toshihiro Fujioka、Tetsuya Komori、Toshio Kawasaki、David G. Oakenful

  DOI：10.1016/s0031-9422(00)81518-6

  日期：1986.12