1β,3β,22β-trihydroxyolean-11,13(18)-diene | 211945-80-1

• 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: 1β,3β,22β-trihydroxyolean-11,13(18)-diene
• 英文别名: (1R,3S,4aS,6aR,6bS,8aR,9R,14aS,14bS)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,14a-dodecahydropicene-1,3,9-triol
• CAS: 211945-80-1
• 化学式: C₃₀H₄₈O₃
• 分子量: 456.709
• InChiKey: YFYUPGKRGXWORZ-RINHYLJNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.1
• 重原子数：
  33
• 可旋转键数：
  0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.87
• 拓扑面积：
  60.7
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1β,3β,22β-trihydroxyolean-11,13(18)-diene 在 吡啶 、 chromium(VI) oxide 作用下， 反应 3.0h， 生成 (4aS,6aR,6bS,8aR,14aS,14bS)-4,4,6a,6b,8a,11,11,14b-Octamethyl-4a,6,6a,6b,7,8,8a,10,11,12,14a,14b-dodecahydro-4H,5H-picene-1,3,9-trione
  参考文献：
  名称：

  Saikosaponins from Taverniera aegyptiaca

  摘要：

  By tracing the UV triplet of heteroannular dienes, three novel saikosaponins were isolated from the root bark of Taverniera aegyptiaca. They were identified as 22 beta-hydroxyolean-11,13(18)-dien-3 beta-yl-beta-D-glucopyranoside, 1 beta,22 beta-dihydroxyolean-11,13(18)-dien-3 beta-yl-1 beta-D-glucopyranoside and 1 beta,22 beta-dihydroxyolean-11,13(18)-dien-3 beta-yl-beta-D-xylopyranosyl(1 --> 2)beta-D-glucopyranoside on the basis of chemical and spectral evidences. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0031-9422(98)00066-1
• 作为产物：
  描述：

  3β-O-α-rhamnopyranosyl(1->2)β-glucopyranosylolean-11,13(18)-dien-1β,3β,22β-triol 在 硫酸 作用下， 以 水 为溶剂， 反应 3.0h， 生成 1β,3β,22β-trihydroxyolean-11,13(18)-diene
  参考文献：
  名称：

  Further saponins from Taverniera aegyptiaca

  摘要：

  From the saponin fraction of the total methanolic extract of the dried root and stem barks of Taverniera aegyptiaca Boiss, six new triterpenoidal saponins of oleanane type were isolated and identified as 28-methyl serratagenate-3- beta-O-beta-xylopyranosyl (1-->2)-beta-glucopyranoside (2), 28-methyl serratagenate 3-beta-O-alpha-rhamnopyranosyl (1-->2)-beta-glucopyranoside (3), 3beta-O-alpha-rhamnopyranosyl (1-->2) beta-glucopyranosyl-olean-11,13(18)-dien-1beta, 3beta, 22beta-triol (4), 3beta-O-beta-glucopyranosyl (1-->2)-beta-glucuronopyranosylolean-11,13(18)-dien-1beta,3beta,22beta-triol (5), 3beta-O-alpha-xylopyranosyl(1-->2)-beta-glucuronopyranosylolean-11,13(18)-dien-1beta,3beta,22beta-triol(6), 3beta-O-alpha-rhamnopyranosyl (1-->2)-beta-glucuronopyranosylolean-11,13(18)-dien-1beta, 3beta, 22beta-triol (7) together with the known oleanolic acid 3-beta-O-beta-glucoside (1). The identification of the isolated compounds was done on the basis of chemical and spectral evidences. (C) 2003 Published by Elsevier Science Ltd.

  DOI：

  10.1016/s0031-9422(02)00620-9