hydroxy-7β epi-13 rosadiene-5(10),15 oate de methyle | 81680-43-5

• 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: hydroxy-7β epi-13 rosadiene-5(10),15 oate de methyle
• 英文别名: methyl (1R,4bR,7S,8aR,9S)-7-ethenyl-9-hydroxy-1,4b,7-trimethyl-3,4,5,6,8,8a,9,10-octahydro-2H-phenanthrene-1-carboxylate
• CAS: 81680-43-5
• 化学式: C₂₁H₃₂O₃
• 分子量: 332.483
• InChiKey: BVZSSBFOJAUYAD-JZTRKIHISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  24
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.76
• 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：

  (1R,4bR,7S,8aR)-1,4b,7-Trimethyl-9-oxo-7-vinyl-1,2,3,4,4b,5,6,7,8,8a,9,10-dodecahydro-phenanthrene-1-carboxylic acid methyl ester 在 sodium tetrahydroborate 作用下， 生成 hydroxy-7β epi-13 rosadiene-5(10),15 oate de methyle
  参考文献：
  名称：

  13C nuclear magnetic resonance spectra of several hydroxy diterpene derivatives

  摘要：

  Abstract13C NMR spectra of several hydroxy diterpene derivatives having a pimarane, isopimarane and (13S, 8α)rosane skeleton have been recorded. The most significant effects caused by the introduction of hydroxyl groups in such a skeleton are demonstrated. The magnitudes of the γ‐ and δ‐effects are large enough to allow their use in sterochemical assignments.

  DOI：

  10.1002/mrc.1270170316

文献信息

• Part. III - Rearrangements d'epoxydes-7,8 diterpeniques catalyses par l'etherate de trifluorure de bore
  作者：M. Taran、B. Delmond

  DOI：10.1016/s0040-4020(01)82059-7

  日期：1986.1
• 13C nuclear magnetic resonance spectra of several hydroxy diterpene derivatives
  作者：Bernard Delmond、Martine Taran、Jacques Valade、Michel Petraud、Bernard Barbe

  DOI：10.1002/mrc.1270170316

  日期：1981.11

  Abstract13C NMR spectra of several hydroxy diterpene derivatives having a pimarane, isopimarane and (13S, 8α)rosane skeleton have been recorded. The most significant effects caused by the introduction of hydroxyl groups in such a skeleton are demonstrated. The magnitudes of the γ‐ and δ‐effects are large enough to allow their use in sterochemical assignments.