(8S,9S,10S,13R,14S,17R)-1,2-dihydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

• 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: (8S,9S,10S,13R,14S,17R)-1,2-dihydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
• 化学式: C₂₇H₄₄O₃
• 分子量: 416.6
• InChiKey: AXJIKGZOLOAXDD-QOWIWCIZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.4
• 重原子数：
  30
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  57.5
• 氢给体数：
  2
• 氢受体数：
  3

文献信息

• KIT AND METHOD FOR QUANTITATIVE DETECTION OF STEROIDS
  申请人：Swansea University

  公开号：EP2893355A1

  公开（公告）日：2015-07-15
• DIAGNOSTIC METHODS AND KITS
  申请人：Cholestenix Limited

  公开号：EP3345004B1

  公开（公告）日：2020-07-22
• US9851368B2
  申请人：——

  公开号：US9851368B2

  公开（公告）日：2017-12-26
• [EN] KIT AND METHOD FOR QUANTITATIVE DETECTION OF STEROIDS<br/>[FR] TROUSSE ET PROCÉDÉ POUR LA DÉTECTION QUANTITATIVE DE STÉROÏDES
  申请人：UNIV SWANSEA

  公开号：WO2014037725A1

  公开（公告）日：2014-03-13

  The invention relates to a kit and methods for quantitative detection of steroids in a sample. The kit comprises quantitative charge tags and an oxidising agent.
• [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)