(2R,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bS)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid

• 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: (2R,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bS)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid
• 化学式: C₃₀H₄₆O₄
• 分子量: 470.7
• InChiKey: MPDGHEJMBKOTSU-UPUJGSTDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.4
• 重原子数：
  34
• 可旋转键数：
  1
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.87
• 拓扑面积：
  74.6
• 氢给体数：
  2
• 氢受体数：
  4

文献信息

• Pharmaceutical compositions containing polycyclic cyanoketones
  申请人：STERLING DRUG INC.

  公开号：EP0009801A1

  公开（公告）日：1980-04-16

  (18β and 18a)-2a-Cyano-3,11-dioxo-olean-12-en-29-oic acids and lower-alkyl esters thereof, useful as ulcer preventing and ulcer healing agents, are prepared from 18β- or 18a-glycyrrhetinic acid, the final step being alkaline cleavage of 18β- or 18α-11-oxo-olean-2,12-dieno[2,3-djisox-azol-29- oic acid followed by optional acidification of the basic salt obtained and optional esterification of the free acid thus obtained.

  (18β和18a)-2a-氰基-3,11-二氧代-油环-12-烯-29-酸及其低级烷基酯，可作为溃疡预防剂和溃疡愈合剂，由18β-或18a-甘草次酸制备、最后一步是碱性裂解 18β- 或 18α-11- 氧代-2,12-二烯并[2,3-二异噁唑-29-酸，然后任选酸化得到的碱性盐，并任选酯化由此得到的游离酸。
• GLYCYRRHETINIC ACID DERIVATIVES AND THEIR USE FOR THE MANUFACTURE OF A MEDICAMENT TO INHIBIT 11BETA-HYDROXYSTEROID DEHYDROGENASE ACTIVITY
  申请人：Sterix Limited

  公开号：EP1381357B1

  公开（公告）日：2010-10-20
• US4395423A
  申请人：——

  公开号：US4395423A

  公开（公告）日：1983-07-26