2-oxo-3β,19α,23-trihydroxyurs-12-en-28-oic acid β-D-glucopyranosyl ester

• 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: 2-oxo-3β,19α,23-trihydroxyurs-12-en-28-oic acid β-D-glucopyranosyl ester
• 化学式: C₃₆H₅₆O₁₁
• 分子量: 664.834
• InChiKey: RRDJODOVWNAXNW-XNCLPTBKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.61
• 重原子数：
  47.0
• 可旋转键数：
  4.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  194.21
• 氢给体数：
  7.0
• 氢受体数：
  11.0

反应信息

• 作为反应物：
  描述：

  2-oxo-3β,19α,23-trihydroxyurs-12-en-28-oic acid β-D-glucopyranosyl ester 在 盐酸 作用下， 以 水 为溶剂， 反应 5.0h， 以2.88 mg的产率得到葡萄糖
  参考文献：
  名称：

  Chemical constituents fromPiper wallichii

  摘要：

  Fifteen known compounds including four triterpenoids (1-4), one sterol (5), one diketopiperazine alkaloid (6) and nine phenolics (7-15) were isolated from the stems of Piper wallichii. Their structures were elucidated by means of spectroscopic analysis, and acidic hydrolysis in case of the 2-oxo-3,19,23-trihydroxyurs-12-en-28-oic acid -D-glucopyranosyl ester (1). The structure of compound 1 was fully assigned by 1D and 2D NMR experiments for the first time. All isolates were tested for their antibacterial, antifungal, anti-inflammatory and antiplatelet aggregation bioactivities.

  DOI：

  10.1080/14786419.2014.998217

文献信息

• Chemical constituents from<i>Piper wallichii</i>
  作者：Yan-Ni Shi、Lian Yang、Jin-Hua Zhao、Yi-Ming Shi、Yan Qu、Hong-Tao Zhu、Dong Wang、Chong-Ren Yang、Xing-Cong Li、Min Xu、Ying-Jun Zhang

  DOI：10.1080/14786419.2014.998217

  日期：2015.7.18

  Fifteen known compounds including four triterpenoids (1-4), one sterol (5), one diketopiperazine alkaloid (6) and nine phenolics (7-15) were isolated from the stems of Piper wallichii. Their structures were elucidated by means of spectroscopic analysis, and acidic hydrolysis in case of the 2-oxo-3,19,23-trihydroxyurs-12-en-28-oic acid -D-glucopyranosyl ester (1). The structure of compound 1 was fully assigned by 1D and 2D NMR experiments for the first time. All isolates were tested for their antibacterial, antifungal, anti-inflammatory and antiplatelet aggregation bioactivities.