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(2Ξ,6E,10E)-3,7,11,15-tetramethyl-hexadeca-2,6,10,14-tetraenal | 132513-59-8

中文名称
——
中文别名
——
英文名称
(2Ξ,6E,10E)-3,7,11,15-tetramethyl-hexadeca-2,6,10,14-tetraenal
英文别名
geranylcitral;(6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenal
(2Ξ,6<i>E</i>,10<i>E</i>)-3,7,11,15-tetramethyl-hexadeca-2,6,10,14-tetraenal化学式
CAS
132513-59-8
化学式
C20H32O
mdl
——
分子量
288.473
InChiKey
AVHRJMXIKKJVHG-CXRNWELDSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

物化性质

  • 沸点:
    402.7±24.0 °C(Predicted)
  • 密度:
    0.875±0.06 g/cm3(Predicted)

计算性质

  • 辛醇/水分配系数(LogP):
    6.7
  • 重原子数:
    21
  • 可旋转键数:
    10
  • 环数:
    0.0
  • sp3杂化的碳原子比例:
    0.55
  • 拓扑面积:
    17.1
  • 氢给体数:
    0
  • 氢受体数:
    1

上下游信息

  • 上游原料
    中文名称 英文名称 CAS号 化学式 分子量
  • 下游产品
    中文名称 英文名称 CAS号 化学式 分子量

反应信息

点击查看最新优质反应信息

文献信息

  • Cyano phosphate: an efficient intermediate for the chemoselective conversion of carbonyl compounds to nitriles
    作者:Ryuji Yoneda、Shinya Harusawa、Takushi Kurihara
    DOI:10.1021/jo00005a031
    日期:1991.3
    Cyanohydrin diethyl phosphates, readily obtained from various ketones and aldehydes by reaction with diethyl phosphorocyanidate and lithium cyanide, reacted chemoselectively with samarium(II) iodide in THF to give the corresponding nitriles in excellent yields. This method was also found applicable to alpha,beta-unsaturated carbonyl compounds via cyano phosphates to give beta,gamma-unsaturated nitriles, not obtainable by standard methods, without isomerization of the double bonds.
  • In Vivo Biosynthesis of Terpene Nucleosides Provides Unique Chemical Markers of Mycobacterium tuberculosis Infection
    作者:David C. Young、Emilie Layre、Shih-Jung Pan、Asa Tapley、John Adamson、Chetan Seshadri、Zhongtao Wu、Jeffrey Buter、Adriaan J. Minnaard、Mireia Coscolla、Sebastien Gagneux、Richard Copin、Joel D. Ernst、William R. Bishai、Barry B. Snider、D. Branch Moody
    DOI:10.1016/j.chembiol.2015.03.015
    日期:2015.4
    Although small molecules shed from pathogens are widely used to diagnose infection, such tests have not been widely implemented for tuberculosis. Here we show that the recently identified compound, 1-tuberculosinyladenosine (1-TbAd), accumulates to comprise >1% of all Mycobacterium tuberculosis lipid. In vitro and in vivo, two isomers of TbAd were detected that might serve as infection markers. Using mass spectrometry and nuclear magnetic resonance, we established the structure of the previously unknown molecule, N-6-tuberculosinyladenosine (N-6-TbAd). Its biosynthesis involves enzymatic production of 1-TbAd by Rv3378c followed by conversion to N-6-TbAd via the Dimroth rearrangement. Intact biosynthetic genes are observed only within M. tuberculosis complex bacteria, and TbAd was not detected among other medically important pathogens, environmental bacteria, and vaccine strains. With no substantially similar known molecules in nature, the discovery and in vivo detection of two abundant terpene nucleosides support their development as specific diagnostic markers of tuberculosis.
  • 2.DELTA.-Stereocontrolled Entry to (E)- or (Z)-Prenyl Aromatics and Quinones. Synthesis of Menaquinone-4
    作者:Xavier Garcias、Pablo Ballester、Magdalena Capo、Jose M. Saa
    DOI:10.1021/jo00096a069
    日期:1994.8
  • Gebhard, R.; Dijk, J. T. M. van; Ouwerkerk, E. van, Recueil des Travaux Chimiques des Pays-Bas, 1991, vol. 110, # 11, p. 459 - 469
    作者:Gebhard, R.、Dijk, J. T. M. van、Ouwerkerk, E. van、Boza, M. V. T. J.、Lugtenburg, J.
    DOI:——
    日期:——
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