3β,7β-dihydroxy-5-cholen-24-oic acid | 19141-11-8

• 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,7β-dihydroxy-5-cholen-24-oic acid
• 英文别名: 3β,7β-dihydroxychol-5-enoic acid；3β.7β-Dihydroxy-Δ⁵-cholensaeure；3β,7β-dihydroxy-cholen-(5)-oic acid-(24)；3β,7β-Dihydroxy-cholen-(5)-saeure-(24)；3beta,7beta-Dihydroxychol-5-en-24-oic Acid；(4R)-4-[(3S,7R,8S,9S,10R,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
• CAS: 19141-11-8
• 化学式: C₂₄H₃₈O₄
• 分子量: 390.563
• InChiKey: PXHCARRJGFGPAC-SZQOYVLDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  28
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  77.8
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  methyl 3β-acetoxy-7β-hydroxy-5-cholen-24-oate 在 lithium hydroxide 作用下， 以 甲醇 为溶剂， 以21 mg的产率得到3β,7β-dihydroxy-5-cholen-24-oic acid
  参考文献：
  名称：

  A convenient synthesis of 3β,12α-, 3β,7α-, and 3β,7β-dihydroxy-5-cholen-24-oic acids: Unusual bile acids in human biological fluids

  摘要：

  The unusual bile acids 3 beta,12 alpha- (V), 3 beta,7 alpha- (XIIIa), and 3 beta,7 beta- (XIIIb) dihydroxy-5-cholen-24-oic acids were synthesized conveniently from the 3-oxo derivatives of deoxycholic (I) and lithocholic (VI) acids, respectively, to provide authentic samples for the gas chromatography-mass spectrometric determination of these bile acids in the abnormal metabolism of bile acids.

  DOI：

  10.1016/0039-128x(86)90019-x

文献信息

• DIAGNOSTIC METHODS AND KITS
  申请人：Cholestenix Limited

  公开号：EP3345004B1

  公开（公告）日：2020-07-22
• [EN] DIAGNOSTIC METHODS AND KITS<br/>[FR] MÉTHODES DIAGNOSTIQUES ET KITS
  申请人：UNIV SWANSEA

  公开号：WO2017037465A1

  公开（公告）日：2017-03-09

  The present invention relates to methods for the diagnosis or prognosis of conditions caused by defects in cholesterol biosynthesis, such as Smith-Lemli-Opitz syndrome (SLOS), in particular to early diagnostic methods including in utero methods. In one aspect, the method compries detecting in a biological sample levels of delta-5 bile acid conjugated with 2-(acetylamino)-2-deoxy-D-glucose (GlcNAc) of formula (I)