3β-Hydroxy-5α-cycloart-24-en-21-oic acid | 125302-31-0

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 类固醇和类固醇衍生物
• 英文名称: 3β-Hydroxy-5α-cycloart-24-en-21-oic acid
• 英文别名: 9,16-Cyclolanost-24-en-21-oic acid, 3-hydroxy-, (3I(2))-；(2R)-2-[(1S,3R,6S,8R,11S,12S,15R,16R)-6-hydroxy-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]-6-methylhept-5-enoic acid
• CAS: 125302-31-0
• 化学式: C₃₀H₄₈O₃
• 分子量: 456.709
• InChiKey: ATCKKDRMJPISRM-PJSNPGDSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.3
• 重原子数：
  33
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  57.5
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3β-Hydroxy-5α-cycloart-24-en-21-oic acid 在 lithium aluminium tetrahydride 作用下， 以 甲醇 、 乙醚 为溶剂， 反应 0.5h， 生成 5α-Cycloart-24-en-3β,21-diol
  参考文献：
  名称：

  Cycloartanes and other terpenoids and phenylpropanoids from Monocyclanthus vignei

  摘要：

  From the petrol extract of the stem bark of Monocyclanthus vignei 30 terpenoids and two phenylpropanoids have been isolated and their structures established, among them 17 new cycloartane-type compounds. Geranic acid and beta-caryophyllene were found to be the major constituents.

  DOI：

  10.1016/0031-9422(92)80456-o
• 作为产物：
  描述：

  3-oxo-24-cycloarten-21-oic acid 生成 3β-Hydroxy-5α-cycloart-24-en-21-oic acid
  参考文献：
  名称：

  从枸杞新型皮肤肿瘤促进抑制剂的叶中分离出新的类环烷三萜

  摘要：

  从domestic属植物的叶子中分离出了一种新的三环类萜三萜3-氧代-24-环arten-21-油酸，并在光谱和X射线衍射研究的基础上确定了其结构。一些天然产物衍生物在爱泼斯坦巴尔病毒激活的基础上显示出显着的抑制皮肤肿瘤生长的活性。

  DOI：

  10.1016/s0040-4039(01)93813-4

文献信息

• Cycloartanes and other terpenoids and phenylpropanoids from Monocyclanthus vignei
  作者：Hans Achenbach、Dieter Frey

  DOI：10.1016/0031-9422(92)80456-o

  日期：1992.12

  From the petrol extract of the stem bark of Monocyclanthus vignei 30 terpenoids and two phenylpropanoids have been isolated and their structures established, among them 17 new cycloartane-type compounds. Geranic acid and beta-caryophyllene were found to be the major constituents.
• Isolation of a new cycloartanoid triterpene from leaves of Lansium domesticum novel skin-tumor promotion inhibitors
  作者：Mugio Nishizawa、Makoto Emura、Hidetoshi Yamada、Motoo Shiro、Chairul、Yuji Hayashi、Harukuni Tokuda V

  DOI：10.1016/s0040-4039(01)93813-4

  日期：1989.1

  A new cycloartanoid triterpene, 3-oxo-24-cycloarten-21-oic acid, has been isolated from leaves of Lansium domesticum, and the structure has established on the basis of spectral and an X-ray diffraction studies. Some of the natural product derivatives show significant inhibitory activity of skin-tumor promotion on the basis of Epstein Barr virus activation.

  从domestic属植物的叶子中分离出了一种新的三环类萜三萜3-氧代-24-环arten-21-油酸，并在光谱和X射线衍射研究的基础上确定了其结构。一些天然产物衍生物在爱泼斯坦巴尔病毒激活的基础上显示出显着的抑制皮肤肿瘤生长的活性。