ergosta-4,7,22-trien-3,6-dione | 19698-66-9

• 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: ergosta-4,7,22-trien-3,6-dione
• 英文别名: ergosta-4,7,22-triene-3,6-dione；Ganodesterone；(9S,10R,13R,14R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,9,11,12,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-3,6-dione
• CAS: 19698-66-9
• 化学式: C₂₈H₄₀O₂
• 分子量: 408.624
• InChiKey: RMKUNHROPPZENV-IXWATKSXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.5
• 重原子数：
  30
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  34.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  ergosta-4,7,22-trien-3,6-dione 在 potassium carbonate 作用下， 以 丙酮 为溶剂， 反应 0.33h， 以2 mg的产率得到calvasterol B
  参考文献：
  名称：

  Two steroids from Calvatia cyathiformis

  摘要：

  Calvasterols A (14 alpha-hydroxyergosta-4,7,9,22-tetraen-3,6-dione) and B (9 alpha,14 alpha-dihydroxyergosta-4,7,22-trien-3,6-dione), two new steroids, have been isolated from Calvatia cyathiformis. Their molecular structures have been defined by spectroscopic means and chemical correlations.

  DOI：

  10.1016/0031-9422(94)00740-k
• 作为产物：
  描述：

  (22E,24R)-ergosta-4,7,22-triene-3-one 在 吡啶 、 chromium(VI) oxide 作用下， 以 二氯甲烷 为溶剂， 反应 0.75h， 以20%的产率得到ergosta-4,7,22-trien-3,6-dione
  参考文献：
  名称：

  Synthesis of (22E,24R)-ergosta-4,7-22-triene-3,6-dione and its 14α-hydroxy- and 9α,14α-dihydroxy derivatives

  摘要：

  Delta(4,7)-3,6-Diketosteroids have been synthesized from ergosterol (I).

  DOI：

  10.1007/bf02234854

文献信息

• Natural product derivatives as food supplements and pharmaceuticals
  申请人：Amato K. Daniel

  公开号：US20050191385A1

  公开（公告）日：2005-09-01

  Then present invention provides new and useful derivatives of phyto-derived tetracyclic compounds possessing steroidal-like activity, and in some instances both amino acid/oligo-peptide and steroidal-like activity, uses thereof and methods of production.

  本发明提供了新的、有用的植物来源四环素化合物衍生物，具有类固醇样活性，在某些情况下同时具有氨基酸/寡肽和类固醇样活性，以及其使用和生产方法。
• NISHITOBA, TSUYOSHI;SATO, HIROJI;ODA, KYOKO;SAKAMURA, SADAO, AGR. AND BIOL. CHEM., 52,(1988) N 1, 211-216
  作者：NISHITOBA, TSUYOSHI、SATO, HIROJI、ODA, KYOKO、SAKAMURA, SADAO

  DOI：——

  日期：——
• Synthesis of (22E,24R)-ergosta-4,7-22-triene-3,6-dione and its 14α-hydroxy- and 9α,14α-dihydroxy derivatives
  作者：N. V. Kovganko、S. N. Sokolov

  DOI：10.1007/bf02234854

  日期：1999.5

  Delta(4,7)-3,6-Diketosteroids have been synthesized from ergosterol (I).
• Two steroids from Calvatia cyathiformis
  作者：Nobuo Kawahara、Setsuko Sekita、Motoyoshi Satake

  DOI：10.1016/0031-9422(94)00740-k

  日期：1995.3

  Calvasterols A (14 alpha-hydroxyergosta-4,7,9,22-tetraen-3,6-dione) and B (9 alpha,14 alpha-dihydroxyergosta-4,7,22-trien-3,6-dione), two new steroids, have been isolated from Calvatia cyathiformis. Their molecular structures have been defined by spectroscopic means and chemical correlations.