(1R,6R,7S,10R)-10-hydroxy-4(5)-cadinen-3-one | 20085-91-0

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: (1R,6R,7S,10R)-10-hydroxy-4(5)-cadinen-3-one
• 英文别名: 10-hydroxy-4(5)-cadinen-3-one；(4aR,5S,8R,8aR)-8-hydroxy-3,8-dimethyl-5-propan-2-yl-1,4a,5,6,7,8a-hexahydronaphthalen-2-one
• CAS: 20085-91-0
• 化学式: C₁₅H₂₄O₂
• 分子量: 236.354
• InChiKey: XZKNRQNOZWYUMT-RMRHIDDWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  17
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.8
• 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：

  D-myo-纤维醇,2,4,5-三-O-(苯基甲基)-1,6-O-(1R,2R,4R)-1,7,7-三甲基二环2.2.1庚-2-亚基-,乙酸酯 在 selenium(IV) oxide 作用下， 以 乙醇 为溶剂， 反应 6.0h， 以264 mg的产率得到(1R,6R,7S,10R)-10-hydroxy-4(5)-cadinen-3-one
  参考文献：
  名称：

  Five New Cadinane-Type Sesquiterpenes from the Heartwood of Chamaecyparis obtusa var. formosana

  摘要：

  Muurola-4,10(14)-dien-3-one (1), 10-O-acetyl-15-oxo-alpha-cadinol (2), 15-hydroxy-alpha-cadinol (3), 4alpha-hydroxy-5beta -ethoxy-epi-cubenol (4), and 4alpha-hydroxy-5beta -acetoxy-epi-cubenol (5), five new bicyclic sesquiterpenes, have been isolated from the heartwood of Chamaecyparis obtusa var. formosana along with the known compounds epi-cubenol, T-cadinol, T-muurolol, delta-cadinol, and alpha-cadinol. The structures of the new constituents were elucidated through chemical and spectral studies.

  DOI：

  10.1021/np0101402

文献信息

• Chinese traditional medicines for psoriasis
  申请人：——

  公开号：US20030152588A1

  公开（公告）日：2003-08-14

  The invention relates to disclose some Chinese formula for psoriasis. Whether treatment for psoriasis is targeted at both the hyperproliferative and inflammatory aspect of the topical therapy. Specially, the administration dosage is soft gel, cream, tincture and aerosol etc. topical dosages.
• Five New Cadinane-Type Sesquiterpenes from the Heartwood of <i>Chamaecyparis obtusa</i> var. <i>formosana</i>
  作者：Yueh-Hsiung Kuo、Chia-Hsien Chen、Shih-Chang Chien、Yun-Lian Lin

  DOI：10.1021/np0101402

  日期：2002.1.1

  Muurola-4,10(14)-dien-3-one (1), 10-O-acetyl-15-oxo-alpha-cadinol (2), 15-hydroxy-alpha-cadinol (3), 4alpha-hydroxy-5beta -ethoxy-epi-cubenol (4), and 4alpha-hydroxy-5beta -acetoxy-epi-cubenol (5), five new bicyclic sesquiterpenes, have been isolated from the heartwood of Chamaecyparis obtusa var. formosana along with the known compounds epi-cubenol, T-cadinol, T-muurolol, delta-cadinol, and alpha-cadinol. The structures of the new constituents were elucidated through chemical and spectral studies.