(3R,10S,13S)-3-Hydroxy-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-17-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: (3R,10S,13S)-3-Hydroxy-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-17-one
• 英文别名: 3α-hydroxy-(5ξ)-androstan-17-one；h_2_Etiocholanolone；(3R,10S,13S)-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
• 化学式: C₁₉H₃₀O₂
• 分子量: 290.446
• InChiKey: QGXBDMJGAMFCBF-WDFDFUJVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  21
• 可旋转键数：
  0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.95
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  在 zirconium sulphenyl phosphonate 、 乙醛酸 作用下， 反应 2.0h， 以75%的产率得到(3R,10S,13S)-3-Hydroxy-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-17-one
  参考文献：
  名称：

  Heterogeneous Catalysis in Carbonyl Regeneration from 1,3-Dithiolanes and 1,3-Dithianes by Zirconium Sulfophenyl Phosphonate

  摘要：

  分层锆磺酚磷酸盐被发现是一种高效的异相催化剂，可用于温和水解1,2-二硫醇烷和1,3-二噁烷，生成相应的羰基化合物。

  DOI：

  10.1055/s-1997-5751

文献信息

• Aminosteroid derivatives and process for producing same
  申请人：UNIVERSITÉ LAVAL

  公开号：US11174282B2

  公开（公告）日：2021-11-16

  Estrane-based and androstane-based aminosteroid derivatives are described herein. More specifically, the following piperazinyl-steroid compounds of Formula I, Formula II, Formula III, and Formula IV are described. The compounds display cytotoxicity on a variety of cancer cell lines. A process for producing the compounds and their use in the manufacture of pharmaceutical formulations and/or combinations is also disclosed.

  本文介绍了雌激素类和雄激素类氨甾醇衍生物。更具体地说，描述了下列式 I、式 II、式 III 和式 IV 的哌嗪类固醇化合物。这些化合物对多种癌细胞系具有细胞毒性。还公开了生产这些化合物的工艺及其在制造药物制剂和/或组合物中的用途。
• Catalytic removal of tert-butyldimethylsilyl (TBS) ether by PVP-I
  作者：Guangying Lu、Di Wang、Jiangmeng Ren、Yanxiong Ke、Bu-Bing Zeng

  DOI：10.1016/j.tetlet.2019.05.059

  日期：2019.9

  A mild, efficient and rapid protocol the deprotection of alcoholic TBDMS ethers using PVP-1 as catalyst in methanol, the procedure of deprotection of various TBDMS ethers were found to be very convenient, easy work-up, high yielding. (C) 2019 Elsevier Ltd. All rights reserved.
• NANOPARTICLES HAVING OLIGONUCLEOTIDES ATTACHED THERETO AND USES THEREFOR
  申请人：Nanosphere, Inc.

  公开号：EP1301625B1

  公开（公告）日：2010-11-03
• 17-METHYLENE-ANDROSTAN-3a-OL ANALOGS AS CRH INHIBITORS
  申请人：Pherin Pharmaceuticals, Inc.

  公开号：EP1392320B1

  公开（公告）日：2007-01-10
• BIOCONJUGATE-NANOPARTICLE PROBES
  申请人：Nanosphere, Inc.

  公开号：EP1466015B1

  公开（公告）日：2008-08-06