24(S)-Methyl-24-ethyl-5α-cholestan-3β-ol | 102054-47-7

• 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: 24(S)-Methyl-24-ethyl-5α-cholestan-3β-ol
• 英文别名: (24S)-24-methyl-5α-stigmastan-3β-ol；(3S,5S,8R,9S,10S,13R,14S,17R)-17-[(2R,5S)-5-ethyl-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
• CAS: 102054-47-7
• 化学式: C₃₀H₅₄O
• 分子量: 430.758
• InChiKey: CTGYOZUQCVVJDW-HWBZLNPGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.6
• 重原子数：
  31
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  24(S)-Methyl-24-ethylcholest-5-en-3β-ol 在 platinum(IV) oxide 氢气 作用下， 以 溶剂黄146 、 乙酸乙酯 为溶剂， 反应 11.0h， 生成 24(S)-Methyl-24-ethyl-5α-cholestan-3β-ol
  参考文献：
  名称：

  Minor and trace sterols in marine invertebrates 53: Further novel marine sterols resulting from triple and quadruple biomethylation of the cholesterol side-chain

  摘要：

  The isolation and structure elucidation of nine new trace sterols with highly branched side chains from a Pseudaxinyssa species from the Australian Great Barrier Reef are described.

  DOI：

  10.1016/0039-128x(85)90075-3

文献信息

• Synthesis of (24R,28R)- and (24S,28S)-24,28-methylene-5-stigmasten-3.beta.-ol and biosynthetic implications of cyclopropyl cleavage to 24-substituted cholesterols
  作者：Jose Luis Giner、Mary P. Zimmerman、Carl Djerassi

  DOI：10.1021/jo00260a018

  日期：1988.12
• GINER, JOSE-LUIS;ZIMMERMAN, MARY P.;DJERASSI, CARL, J. ORG. CHEM., 53,(1988) N 25, C. 5895-5902
  作者：GINER, JOSE-LUIS、ZIMMERMAN, MARY P.、DJERASSI, CARL

  DOI：——

  日期：——
• Minor and trace sterols in marine invertebrates 53: Further novel marine sterols resulting from triple and quadruple biomethylation of the cholesterol side-chain
  作者：T.B. Tam Ha、W.C.M.C. Kokke、John R. Proudfoot、Carl Djerassi、Janice Thompson

  DOI：10.1016/0039-128x(85)90075-3

  日期：1985.3

  The isolation and structure elucidation of nine new trace sterols with highly branched side chains from a Pseudaxinyssa species from the Australian Great Barrier Reef are described.