6-(R)-[2-[8(S)-(2,2-dimethylbutyryloxy)-2(S),6,6-trimethyl-1,2,3,4,4a(S),5,6,7,8,8a(S)-decahydronaphthyl-1(S)]ethyl]-4(R)-hydroxy-3,4,5,6-tetrahydro-2H-pyran-2-one | 124963-36-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 内酯类
• 英文名称: 6-(R)-[2-[8(S)-(2,2-dimethylbutyryloxy)-2(S),6,6-trimethyl-1,2,3,4,4a(S),5,6,7,8,8a(S)-decahydronaphthyl-1(S)]ethyl]-4(R)-hydroxy-3,4,5,6-tetrahydro-2H-pyran-2-one
• 英文别名: [(1S,4aS,7S,8S,8aS)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,3,7-trimethyl-2,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-1-yl] 2,2-dimethylbutanoate
• CAS: 124963-36-6
• 化学式: C₂₆H₄₄O₅
• 分子量: 436.632
• InChiKey: LNIZNPDOWWRYGT-QNNRLBIDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.3
• 重原子数：
  31
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  72.8
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  6-(R)-[2-[8(S)-(2,2-dimethylbutyryloxy)-2(S),6,6-trimethyl-1,2,3,4,4a(S),5,6,7,8,8a(S)-decahydronaphthyl-1(S)]ethyl]-4(R)-hydroxy-3,4,5,6-tetrahydro-2H-pyran-2-one 、 sodium hydroxide 、 氨 生成 (3R,5R)-7-[(1S,2S,4aS,8S,8aS)-8-(2,2-dimethylbutanoyloxy)-2,6,6-trimethyl-2,3,4,4a,5,7,8,8a-octahydro-1H-naphthalen-1-yl]-3,5-dihydroxyheptanoic acid;azane
  参考文献：
  名称：

  HOFFMAN, WILLIAM F.;SMITH, ROBERT L.;LEE, TA J.

  摘要：

  DOI：
• 作为产物：
  描述：

  [(1S,4aS,7S,8S,8aS)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-7-methylspiro[2,4,4a,5,6,7,8,8a-octahydro-1H-naphthalene-3,1'-cyclopropane]-1-yl] 2,2-dimethylbutanoate 生成 6-(R)-[2-[8(S)-(2,2-dimethylbutyryloxy)-2(S),6,6-trimethyl-1,2,3,4,4a(S),5,6,7,8,8a(S)-decahydronaphthyl-1(S)]ethyl]-4(R)-hydroxy-3,4,5,6-tetrahydro-2H-pyran-2-one
  参考文献：
  名称：

  HOFFMAN, WILLIAM F.;SMITH, ROBERT L.;LEE, TA J.

  摘要：

  DOI：

文献信息

• Novel HMG-COA reductase inhibitors
  申请人：Merck & Co., Inc.

  公开号：EP0323867A1

  公开（公告）日：1989-07-12

  Novel 3-hydroxy-3-methylglutaryl-coenzyme A (HMG-CoA) reductase inhibitors are useful as antihypercholesterolemic agents and are represented by the following general structural formulae (I) and (II):

  新型 3-羟基-3-甲基戊二酰辅酶 A（HMG-CoA）还原酶抑制剂可用作抗胆固醇药物，其结构通式（I）和（II）如下：
• JPH01213277A
  申请人：——

  公开号：JPH01213277A

  公开（公告）日：1989-08-28
• ANTI-METHANOGENIC COMPOSITIONS
  申请人：Synthetic Biologics, Inc.

  公开号：US20190277833A1

  公开（公告）日：2019-09-12

  The present invention relates, in part, to treatment of various diseases and disorders such as GI disorders through modulation of F420-dependent enzymes including specific enzymes involved in methanogenesis.
• US4866090A
  申请人：——

  公开号：US4866090A

  公开（公告）日：1989-09-12