ethyl (E,3S,6R)-6-[(1S,2R,5R,7R,8R,10S,11S,14R,15R)-8-methoxy-2,15-dimethyl-14-pentacyclo[8.7.0.02,7.05,7.011,15]heptadecanyl]-3-methylhept-4-enoate | 81477-27-2

• 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: ethyl (E,3S,6R)-6-[(1S,2R,5R,7R,8R,10S,11S,14R,15R)-8-methoxy-2,15-dimethyl-14-pentacyclo[8.7.0.02,7.05,7.011,15]heptadecanyl]-3-methylhept-4-enoate
• CAS: 81477-27-2
• 化学式: C₃₀H₄₈O₃
• 分子量: 456.709
• InChiKey: FWJKNRZGNIJNIA-WRLIAMSASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.8
• 重原子数：
  33
• 可旋转键数：
  8
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  ethyl (E,3S,6R)-6-[(1S,2R,5R,7R,8R,10S,11S,14R,15R)-8-methoxy-2,15-dimethyl-14-pentacyclo[8.7.0.02,7.05,7.011,15]heptadecanyl]-3-methylhept-4-enoate 生成 (E,3S,6R)-6-[(1S,2R,5R,7R,8R,10S,11S,14R,15R)-8-methoxy-2,15-dimethyl-14-pentacyclo[8.7.0.02,7.05,7.011,15]heptadecanyl]-3-methylhept-4-enoic acid
  参考文献：
  名称：

  FINAMORE, ESTER;MINALE, LUIGI;RICCIO, RAFFAELE;RINALDO, GAETANO;ZOLLO, FR+, J. ORG. CHEM., 56,(1991) N, C. 1464-1153

  摘要：

  DOI：
• 作为产物：
  描述：

  (Z,2S,3S)-2-[(1S,2R,5R,7R,8R,10S,11S,14S,15R)-8-methoxy-2,15-dimethyl-14-pentacyclo[8.7.0.02,7.05,7.011,15]heptadecanyl]hex-4-en-3-ol 、 原乙酸三乙酯 生成 ethyl (E,3S,6R)-6-[(1S,2R,5R,7R,8R,10S,11S,14R,15R)-8-methoxy-2,15-dimethyl-14-pentacyclo[8.7.0.02,7.05,7.011,15]heptadecanyl]-3-methylhept-4-enoate
  参考文献：
  名称：

  FINAMORE, ESTER;MINALE, LUIGI;RICCIO, RAFFAELE;RINALDO, GAETANO;ZOLLO, FR+, J. ORG. CHEM., 56,(1991) N, C. 1464-1153

  摘要：

  DOI：

文献信息

• Biosynthesis of phytoecdysteroids in Ajuga hairy roots: clerosterol as a precursor of cyasterone, isocyasterone and 29-norcyasterone
  作者：Keiko Okuzumi、Noriyuki Hara、Yoshinori Fujimoto、Junko Yamada、Atsuko Nakamura、Kyoko Takahashi、Masuo Morisaki

  DOI：10.1016/s0040-4039(02)02565-0

  日期：2003.1

  Feeding studies of six 13C-labeled sterols, including clerosterol, to hairy roots of Ajugareptans var. atropurpurea have established that clerosterol is a precursor of three phytoecdysteroids, cyasterone, isocyasterone and 29-norcyasterone.

  饲喂6种13 C标记的固醇（包括油甾醇）到Ajuga reptans var的毛状根上。atropurpurea已确定clerosterol是三种植物蜕皮激素，cyasterone，isocyasterone和29-norcyasterone的前体。
• Metabolic conversion of 24-methyl-Δ25-cholesterol to 24-methylcholesterol in higher plants
  作者：Kyoko Takahashi、Kozue Nasu、Tadahiko Mashino、Masuo Morisaki、Noriyuki Hara、Yoshinori Fujimoto

  DOI：10.1016/j.bmc.2005.08.061

  日期：2006.2

  Feeding of chemically synthesized [27-C-13]codisterol ([27-C-13]2), [27-C-13]24-epicodisterol ([27-C-13]3), [23,24-H-2(2)]codisterol ([23,24-H-2(2)]2), and [26,27-H-2(6)]24-methyldesmosterol ([26,27-H-2(6)]8) to Oryza sativa cell cultures, followed by MS and NMR analysis of the biosynthesized dihydrobrassicasterol (9)/campesterol (10), revealed that both (24R)- and (24s)-epimers of 24-methyl-Delta(25)-cholesterol (2/3) were converted to 9 and 10 via the common intermediate 24-methyldesmosterol (8). (c) 2005 Elsevier Ltd. All rights reserved.
• FINAMORE, ESTER;MINALE, LUIGI;RICCIO, RAFFAELE;RINALDO, GAETANO;ZOLLO, FR+, J. ORG. CHEM., 56,(1991) N, C. 1464-1153
  作者：FINAMORE, ESTER、MINALE, LUIGI、RICCIO, RAFFAELE、RINALDO, GAETANO、ZOLLO, FR+

  DOI：——

  日期：——