(3S,5R,8R,9R,10R,12Z,14S,16R,17R,18S,21R,22R)-3,16,22,28-tetrahydroxy-21-angeloyloxyolean-12-ene | 20089-98-9

• 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: (3S,5R,8R,9R,10R,12Z,14S,16R,17R,18S,21R,22R)-3,16,22,28-tetrahydroxy-21-angeloyloxyolean-12-ene
• 英文别名: 21-angeloyl-barringtogenol C；(+)-barringtogenol B；21-O-Angeloyl-barringtogenol C; 21β-Angeloyloxy-3β,16α,22α,28-tetrahydroxy-oleanen-(12)；Sapogenol A；barringtogenol-C 21-angelate；[(3R,4R,4aR,5R,6aR,6aS,6bR,8aR,10S,12aR,14bS)-4,5,10-trihydroxy-4a-(hydroxymethyl)-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicen-3-yl] (Z)-2-methylbut-2-enoate
• CAS: 20089-98-9
• 化学式: C₃₅H₅₆O₆
• 分子量: 572.826
• InChiKey: SJSCBAFROHXGCX-MAVWQDHUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.4
• 重原子数：
  41
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  107
• 氢给体数：
  4
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  (3S,5R,8R,9R,10R,12Z,14S,16R,17R,18S,21R,22R)-3,16,22,28-tetrahydroxy-21-angeloyloxyolean-12-ene 在 氢氧化钾 作用下， 以 乙醇 为溶剂， 生成 玉蕊皂苷元C
  参考文献：
  名称：

  Barua,A.K. et al., Journal of the Indian Chemical Society, 1976, vol. 53, p. 209 - 210

  摘要：

  DOI：

文献信息

• Yosioka,I. et al., Chemical and pharmaceutical bulletin, 1968, vol. 16, p. 190 - 193
  作者：Yosioka,I. et al.

  DOI：——

  日期：——
• NOVEL ANALGESIC COMPOUNDS, EXTRACTS CONTAINING SAME AND METHODS OF PREPARATION
  申请人：GRIFFITH UNIVERSITY

  公开号：EP1687320A1

  公开（公告）日：2006-08-09
• Novel Analgesic Compounds, Extracts Containing Same and Methods of Preparation
  申请人：Quinn Ronald

  公开号：US20070270375A1

  公开（公告）日：2007-11-22

  Various compounds obtained from plants of the Barringtonia species which are derived from Barringtoside A and Barringtoside C as precursor compounds which especially have an arabinopyranosyl substituent at the 21 position which may optionally be further substituted with benzoyl, dibenzoyl, methyl butanoyl, methyl butyryl or tigloyl at the 3 or 4 positions. Alternatively at the 21 position there is provided tigloyl, benzoyl or dibenzoyl substituents.
• US7618946B2
  申请人：——

  公开号：US7618946B2

  公开（公告）日：2009-11-17
• [EN] NOVEL ANALGESIC COMPOUNDS, EXTRACTS CONTAINING SAME AND METHODS OF PREPARATION<br/>[FR] NOUVEAUX COMPOSES ANALGESIQUES, EXTRAITS LES CONTENANT ET PROCEDES DE PREPARATION ASSOCIE
  申请人：UNIV GRIFFITH

  公开号：WO2005051969A1

  公开（公告）日：2005-06-09

  Various compounds obtained from plants of the Barringtonia species which are derived from Barringtoside A and Barringtoside C as precursor compounds which especially have an arabinopyranosyl substituent at the 21 position which may optionally be further substituted with benzoyl, dibenzoyl, methyl butanoyl, methyl butyryl or tigloyl at the 3 or 4 positions. Alternatively at the 21 position there is provided tigloyl, benzoyl or dibenzoyl substituents.