(+/-)-byakangelicol | 61046-59-1

• 物质功能分类: 生物化工 - 中草药成分
• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 香豆素及其衍生物
• 英文名称: (+/-)-byakangelicol
• 英文别名: Byakangelicol；9-(3,3-dimethyl-oxiranylmethoxy)-4-methoxy-furo[3,2-g]chromen-7-one；(+/-)-9-(2,3-epoxy-3-methyl-butoxy)-4-methoxy-furo[3,2-g]chromen-7-one；(+/-)-9-(2,3-Epoxy-3-methyl-butoxy)-4-methoxy-furo[3,2-g]chromen-7-on；(+/-)-Byak-angelicol；Byakangelicol (Biacangelicol)；9-[(3,3-dimethyloxiran-2-yl)methoxy]-4-methoxyfuro[3,2-g]chromen-7-one
• CAS: 61046-59-1
• 化学式: C₁₇H₁₆O₆
• 分子量: 316.31
• InChiKey: ORBITTMJKIGFNH-UHFFFAOYSA-N

物化性质

• 熔点：
  106℃
• 沸点：
  503.4±50.0 °C(Predicted)
• 密度：
  1.313

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  70.4
• 氢给体数：
  0
• 氢受体数：
  6

安全信息

• WGK Germany：
  3

反应信息

• 作为反应物：
  描述：

  (+/-)-byakangelicol 、 碘甲烷 在 三氟化硼乙醚 作用下， 以 甲醇 为溶剂， 反应 24.0h， 生成 byakangelicol methanolate
  参考文献：
  名称：

  厚果当归的呋喃香豆素

  摘要：

  摘要 从厚果当归的未成熟果实中分离出的一种新型呋喃香豆素已被表征为 (+)-tert-O-methylbyakangelicin。(+)-tert-O-Methyloxypeucedanin hydrate, neobyakangelicol, (±)-byakangelicol, (+)-byakangelicin, phellopterin, isoimperatorin, oxypeucedanin, oxypeucedanin hydrate, pangeline 和umbelliprenin 也与 (±)-byakangelicin被证明是神器。

  DOI：

  10.1016/0031-9422(83)80174-5
• 作为产物：
  描述：

  比克白芷素 在 吡啶 、 对甲苯磺酰氯 、 三乙胺 作用下， 反应 52.0h， 以40 mg的产率得到(+/-)-byakangelicol
  参考文献：
  名称：

  Quantification of Total Furocoumarins in Citrus Oils by HPLC Coupled with UV, Fluorescence, and Mass Detection

  摘要：

  Furocoumarins or psoralens represent a class of photosensitizers whose use level is likely to be restricted to 1 ppm in cosmetic products by the EU. A reversed-phase HPLC method was developed to separate the 15 main furocoumarins present in citrus oils. Quantification by UV, fluorescence, or mass detectors was compared in terms of linearity and limit of detection. Cold-pressed oils of different citrus species were analyzed using this method. This method could be implemented in quality control laboratories equipped with an HPLC system and a UV diode array detector. Because of possible coelutions, the UV-spectral data should be carefully examined to avoid misleading interpretations of peaks.

  DOI：

  10.1021/jf040164p

文献信息

• Noguchi; Kawanami, Yakugaku Zasshi/Journal of the Pharmaceutical Society of Japan, 1939, vol. 59, p. 755
  作者：Noguchi、Kawanami

  DOI：——

  日期：——
• COOLING AND FLAVOR BOOSTING COMPOSITIONS
  申请人：Firmenich SA

  公开号：EP3658109A1

  公开（公告）日：2020-06-03
• Furocoumarins from Angelica pachycarpa
  作者：J. Méndez、J. Castro-Poceiro

  DOI：10.1016/0031-9422(83)80174-5

  日期：1983.1

  Abstract A novel furocoumarin isolated from unripe fruits of Angelica pachycarpa has been characterized as (+)-tert- O -methylbyakangelicin. (+)-tert- O -Methyloxypeucedanin hydrate, neobyakangelicol, (±)-byakangelicol, (+)-byakangelicin, phellopterin, isoimperatorin, oxypeucedanin, oxypeucedanin hydrate, pangeline and umbelliprenin were also identified along with (±)-byakangelicin monoacetate, which

  摘要 从厚果当归的未成熟果实中分离出的一种新型呋喃香豆素已被表征为 (+)-tert-O-methylbyakangelicin。(+)-tert-O-Methyloxypeucedanin hydrate, neobyakangelicol, (±)-byakangelicol, (+)-byakangelicin, phellopterin, isoimperatorin, oxypeucedanin, oxypeucedanin hydrate, pangeline 和umbelliprenin 也与 (±)-byakangelicin被证明是神器。
• Quantification of Total Furocoumarins in Citrus Oils by HPLC Coupled with UV, Fluorescence, and Mass Detection
  作者：Eric Frérot、Erik Decorzant

  DOI：10.1021/jf040164p

  日期：2004.11.1

  Furocoumarins or psoralens represent a class of photosensitizers whose use level is likely to be restricted to 1 ppm in cosmetic products by the EU. A reversed-phase HPLC method was developed to separate the 15 main furocoumarins present in citrus oils. Quantification by UV, fluorescence, or mass detectors was compared in terms of linearity and limit of detection. Cold-pressed oils of different citrus species were analyzed using this method. This method could be implemented in quality control laboratories equipped with an HPLC system and a UV diode array detector. Because of possible coelutions, the UV-spectral data should be carefully examined to avoid misleading interpretations of peaks.