(+/-)-drimane-8α,11-diol 11-monoacetate | 53163-41-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (+/-)-drimane-8α,11-diol 11-monoacetate
• 英文别名: [(1S,2R,8aS)-2-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methyl acetate
• CAS: 53163-41-0；112136-96-6；141039-85-2
• 化学式: C₁₇H₃₀O₃
• 分子量: 282.423
• InChiKey: VSZSBPFFXQATCL-IIYZTLLPSA-N

物化性质

• 熔点：
  74-77 °C
• 沸点：
  348.0±15.0 °C(Predicted)
• 密度：
  0.992±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.94
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  反,反-西基乙酸 在 氟磺酸 作用下， 以 various solvent(s) 为溶剂， 反应 0.08h， 以77%的产率得到(+/-)-drimane-8α,11-diol 11-monoacetate
  参考文献：
  名称：

  Structure-selective stereospecific cylcization of E,E-farnesol and its acetate by fluorosulfonic acid

  摘要：

  DOI：

  10.1007/bf00598379

文献信息

• Stereochemistry of a Unique Tricarbocyclic Compound Prepared by Superacid-Catalyzed Cyclization
  作者：Hisahide Tanimoto、Hiromasa Kiyota、Takayuki Oritani、Keita Matsumoto

  DOI：10.1055/s-1997-714

  日期：——

  Chlorosulfonic acid catalyzed cyclization reaction of β-monocyclonerolidol and β-monocyclofarnesol and corresponding acetates gave a unique rearranged product (2 S*, 3S*, 4aR*, 8aS*)-1,3,4,5,6,7,8,8a-octahydro-2,5,5,8a-tetramethyl-2H-2,4a-methanonaphthalen-3-ol, the structure of which was elucidated by X-ray analysis.

  氯磺酸催化β-单环萜烯醇和β-单环法呢醇及其相应乙酸盐的环化反应，得到了一种独特的重排产物（2 S*, 3S*, 4aR*, 8aS*）-1,3,4,5,6,7,8,8a-八氢-2,5,5,8a-四甲基-2H-2,4a-甲桥萘-3-醇，其结构通过X射线分析得以阐明。
• SCLAREOL AND LABDENEDIOL DIPHOSPHATE SYNTHASE POLYPEPTIDES, ENCODING NUCLEIC ACID MOLECULES AND USES THEREOF
  申请人：Evolva, Inc.

  公开号：EP3929289A1

  公开（公告）日：2021-12-29

  Provided are labdenediol diphosphate synthase polypeptides, sclareol synthase polypeptides, nucleic acid molecules encoding the labdenediol diphosphate synthase polypeptides and sclareol synthase polypeptides, and methods of using the labdenediol diphosphate synthase polypeptides, sclareol synthase polypeptides. Also provided are methods for producing labdenediol diphosphate, sclareol and (-)-ambroxide.

  本文提供了二磷酸拉布二醇合成酶多肽、紫苏醇合成酶多肽、编码二磷酸拉布二醇合成酶多肽和紫苏醇合成酶多肽的核酸分子，以及使用二磷酸拉布二醇合成酶多肽和紫苏醇合成酶多肽的方法。此外，还提供了生产二磷酸拉布二醇、紫苏醇和(-)-ambroxide的方法。
• Vlad, P. F.; Ungur, N. D.; Nguen Van Hung, Russian Chemical Bulletin, 1995, vol. 44, # 12, p. 2391 - 2403
  作者：Vlad, P. F.、Ungur, N. D.、Nguen Van Hung、Perutsky, V. B.

  DOI：——

  日期：——
• Ship 1 Modulators
  申请人：Andersen Raymond

  公开号：US20080090909A1

  公开（公告）日：2008-04-17

  The present invention includes the use of pelorol, related compounds and pharmaceutical compositions thereof as modulators of SHIP 1 activity. This invention also provides novel terpene compounds capable of modulating SHIP 1 activity and methods of synthesis thereof.
• SHIP 1 MODULATORS
  申请人：Andersen Raymond

  公开号：US20120129925A1

  公开（公告）日：2012-05-24

  The present invention includes the use of pelorol, related compounds and pharmaceutical compositions thereof as modulators of SHIP 1 activity. This invention also provides novel terpene compounds capable of modulating SHIP 1 activity and methods of synthesis thereof.