野甘草酸A | 116425-30-0

• 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
• 中文名称: 野甘草酸A
• 英文名称: scoparic acid A
• 英文别名: (1R,4aR,5R,8R,8aR)-8-benzoyloxy-5-[(E)-5-hydroxy-3-methylpent-3-enyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid
• CAS: 116425-30-0
• 化学式: C₂₇H₃₆O₅
• 分子量: 440.58
• InChiKey: GIQOHSBJFWWSAH-ZYEVQTAUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  32
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  83.8
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  野甘草酸A 在 氢氧化钾 作用下， 以 甲醇 、 二甲基亚砜 为溶剂， 生成 (1R,4aR,5R,8R,8aR)-8-Hydroxy-5-((E)-5-hydroxy-3-methyl-pent-3-enyl)-1,4a-dimethyl-6-methylene-decahydro-naphthalene-1-carboxylic acid
  参考文献：
  名称：

  二十烷酸A的结构，一种新的拉丹烷型二萜类化合物，来自巴拉圭的粗制药物“TypycháKuratũ”（Scoparia dulcis L.）

  摘要：

  A new labdane-type diterpenoid, scoparic acid A, which has an inhibitory effect on β-glucuronidase, was isolated from Scoparia dulcis L. and its structure was elucidated by means of 2-D NMR spectroscopy including the INADEQUATE and 1H-13C long-range COSY.

  DOI：

  10.1248/cpb.35.3963

文献信息

• Structure of scoparic acid A, a new labdane-type diterpenoid from a Paraguayan crude drug "Typycha Kuratu" (Scoparia dulcis L.).
  作者：Masaru Kawasaki、Toshimitsu Hayashi、Munehisa Arisawa、Mineo Shimizu、Shunji Horie、Hajime Ueno、Hisashi Syogawa、Shoichi Suzuki、Masao Yoshizaki、Naokata Morita、Yasuhiro Tezuka、Tohru Kikuchi、Luis H. Berganza、Esteban Ferro、Isabel Basualdo

  DOI：10.1248/cpb.35.3963

  日期：——

  A new labdane-type diterpenoid, scoparic acid A, which has an inhibitory effect on β-glucuronidase, was isolated from Scoparia dulcis L. and its structure was elucidated by means of 2-D NMR spectroscopy including the INADEQUATE and 1H-13C long-range COSY.