7,12-二羟基雄甾-1,4-二烯-3,17-二酮 | 70608-75-2

• 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
• 中文名称: 7,12-二羟基雄甾-1,4-二烯-3,17-二酮
• 中文别名: 1,2,3,6,7,8-六溴二苯并呋喃
• 英文名称: 7,12-Dihydroxyandrosta-1,4-diene-3,17-dione
• 英文别名: (7R,8R,9S,10R,12R,13R,14S)-7,12-dihydroxy-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-dione
• CAS: 70608-75-2
• 化学式: C₁₉H₂₄O₄
• 分子量: 316.4
• InChiKey: BWQVWSWLOMBYLM-USYVIYLSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  23
• 可旋转键数：
  0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.68
• 拓扑面积：
  74.6
• 氢给体数：
  2
• 氢受体数：
  4

文献信息

• EP0046769A4
  申请人：——

  公开号：EP0046769A4

  公开（公告）日：1982-07-06
• FERMENTATION OF BILE
  申请人：COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION

  公开号：EP0046769A1

  公开（公告）日：1982-03-10
• US4528272A
  申请人：——

  公开号：US4528272A

  公开（公告）日：1985-07-09
• [EN] FERMENTATION OF BILE
  申请人：——

  公开号：WO1981002427A1

  公开（公告）日：1981-09-03

  (EN) Process for the fermentation of bile which includes the step of cultivating one or more aerobic microorganisms which have the ability to selectively degrade bile acids or bile acid conjugates contained in bile. The fermentation is carried out in a cultivation medium containing or consisting of unfractionated bile under aerobic conditions to prepare a compound of the formula (FORMULA) wherein - is a bond chosen from one which is alpha or beta to the ring, X is chosen from hydrogen, hydroxyl or oxo, (Alpha)--- may be either a double or single bond, and R is selected from oxo, hydroxy or a propionic acid residue, attached at the 2-position (FORMULA) The invention also includes within its scope certain compounds as described herein prepared by the process of the invention. (FR) Procede de fermentation de bile comprenant l"etape de cultivation d"un ou plusieurs micro-organismes aerobies pouvant degrader de maniere selective les acides de la bile ou les conjugues des acides de la bile contenus dans celle-ci. La fermentation est executee dans un milieu de culture contenant ou consistant en de la bile non fractionnee dans des conditions aerobies de maniere a preparer un compose selon la formule (FORMULE) dans laquelle - est un lien pouvant etre du type alpha ou beta par rapport au cycle, X est choisi parmi l"hydrogene, hydroxyle ou oxo, peut etre un lien double ou simple, et R est choisi parmi un oxo, hydroxy ou des restes d"acide propioniques, attaches a la deuxieme position (c"est-a-dire (FORMULE) ). La presente invention comprend aussi certains composes obtenus par le procede de l"invention.