[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (E)-heptadec-2-enoate

• 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: [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (E)-heptadec-2-enoate
• 化学式: C₄₄H₇₆O₂
• 分子量: 637.1
• InChiKey: BOUMJJKRBLZNGX-XRHKIVBGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  16.9
• 重原子数：
  46
• 可旋转键数：
  21
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

文献信息

• SYSTEMS AND APPARATUS FOR INDICATING RISK OF CORONARY STENOSIS
  申请人：Rudel Lawrence L.

  公开号：US20140134654A1

  公开（公告）日：2014-05-15

  A computer-based method for determining a prediction of risk and/or an indication of extent of coronary stenosis in a human subject, comprises the steps of: (a) inputting the level of at least one cholesteryl ester measured in a blood sample collected from said subject; and then (b) inputting the age and gender of said subject; and then (c) generating in said computer from said cholesteryl ester level input, said age input and said gender input a prediction of risk and/or an indication of extent of coronary stenosis blood sample by mass spectrometry.
• US9222948B2
  申请人：——

  公开号：US9222948B2

  公开（公告）日：2015-12-29
• US9726683B2
  申请人：——

  公开号：US9726683B2

  公开（公告）日：2017-08-08