3β-hydroxy-1,11-dioxo-ergosta-8,24(28)-diene-4α-carboxylic acid

• 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-1,11-dioxo-ergosta-8,24(28)-diene-4α-carboxylic acid
• 英文别名: 3beta-Hydroxy-1,11-dioxo-ergosta-8,24(28)-diene-4alpha-carboxylic acid；(3S,4S,5S,10S,13R,14R,17R)-3-hydroxy-10,13-dimethyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-1,11-dioxo-3,4,5,6,7,12,14,15,16,17-decahydro-2H-cyclopenta[a]phenanthrene-4-carboxylic acid
• 化学式: C₂₉H₄₂O₅
• 分子量: 470.649
• InChiKey: MCQNBADNXHETRN-IIDSXYMRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.6
• 重原子数：
  34
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.76
• 拓扑面积：
  91.7
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  重氮甲烷 、 3β-hydroxy-1,11-dioxo-ergosta-8,24(28)-diene-4α-carboxylic acid 生成 (3S,4S,5S,10S,13R,14R,17R)-17-((R)-1,5-Dimethyl-4-methylene-hexyl)-3-hydroxy-10,13-dimethyl-1,11-dioxo-2,3,4,5,6,7,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-4-carboxylic acid methyl ester
  参考文献：
  名称：

  A new ergostane-type cholesterol biosynthesis inhibitor isolated from Hormoconis resinae

  摘要：

  A new ergostane-type steroid. 3beta-hydroxy-1,11-dioxo-ergosta-8,24(28)-diene-4alpha-carboxylic acid (1) was isolated from the mold Hormoconis resinae as a cholesterol biosynthesis inhibitor in the Chang liver cell. The absolute stereostructure of 1 was established based on the spectroscopic analyses and modified Mosher's method. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(03)01808-2

文献信息

• A new ergostane-type cholesterol biosynthesis inhibitor isolated from Hormoconis resinae
  作者：Hyun Jung Kim、Soon-Ho Yim、Chung Ki Sung、Jee H. Jung、Boo Ahn Shin、Ik-Soo Lee

  DOI：10.1016/s0040-4039(03)01808-2

  日期：2003.9

  A new ergostane-type steroid. 3beta-hydroxy-1,11-dioxo-ergosta-8,24(28)-diene-4alpha-carboxylic acid (1) was isolated from the mold Hormoconis resinae as a cholesterol biosynthesis inhibitor in the Chang liver cell. The absolute stereostructure of 1 was established based on the spectroscopic analyses and modified Mosher's method. (C) 2003 Elsevier Ltd. All rights reserved.