morolic acid methyl ester | 35933-00-7

• 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: morolic acid methyl ester
• 英文别名: methyl (4aS,6aR,6aR,6bR,8aR,10S,12aR,14aS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-3,4,5,6,6a,7,8,8a,10,11,12,13,14,14a-tetradecahydropicene-4a-carboxylate
• CAS: 35933-00-7
• 化学式: C₃₁H₅₀O₃
• 分子量: 470.736
• InChiKey: JDNJALCACXLCSD-DNFKVCLHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.1
• 重原子数：
  34
• 可旋转键数：
  2
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  morolic acid methyl ester 在 盐酸 、 水 作用下， 生成 (3beta)-3-羟基-齐墩果-18-烯-28-酸
  参考文献：
  名称：

  Triterpene derivatives that inhibit human immunodeficiency virus type 1 replication

  摘要：

  Triterpene derivatives were analyzed for anti-HIV-1 activity and for cellular toxicity. Betulinic aldehyde, betulinic nitrile, and morolic acid derivatives were identified to have anti-HIV-1 activity. These derivatives inhibit a late step in virus replication, likely virus maturation. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.10.078
• 作为产物：
  描述：

  moronic acid methyl ester 在 sodium tetrahydroborate 作用下， 以 甲醇 为溶剂， 反应 0.5h， 生成 morolic acid methyl ester
  参考文献：
  名称：

  3-oxo-6β-hydroxyolean-18-en-28-oic acid from orthopterygium huancuy

  摘要：

  DOI：

  10.1016/s0031-9422(00)80284-8

文献信息

• 60. Triterpenoids. Part I. Morolic acid, a new triterpenoid sapogenin
  作者：D. H. R. Barton、C. J. W. Brooks

  DOI：10.1039/jr9510000257

  日期：——
• Cannon, Jack R.; Metcalf, Brian W.; Raston, Colin L., Australian Journal of Chemistry, 1981, vol. 34, # 5, p. 1135 - 1141
  作者：Cannon, Jack R.、Metcalf, Brian W.、Raston, Colin L.、White, Allan H.

  DOI：——

  日期：——
• Triterpene derivatives that inhibit human immunodeficiency virus type 1 replication
  作者：Casey R. Dorr、Sergiy Yemets、Oksana Kolomitsyna、Pavel Krasutsky、Louis M. Mansky

  DOI：10.1016/j.bmcl.2010.10.078

  日期：2011.1

  Triterpene derivatives were analyzed for anti-HIV-1 activity and for cellular toxicity. Betulinic aldehyde, betulinic nitrile, and morolic acid derivatives were identified to have anti-HIV-1 activity. These derivatives inhibit a late step in virus replication, likely virus maturation. (C) 2010 Elsevier Ltd. All rights reserved.
• 3-oxo-6β-hydroxyolean-18-en-28-oic acid from orthopterygium huancuy
  作者：Antonio G. González、José Amaro、Braulio M. Fraga、Javier G. Luis

  DOI：10.1016/s0031-9422(00)80284-8

  日期：1983.1