Cleomiscosin D | 94062-49-4

• 分子结构分类: 有机化合物 - 木脂素、新木脂素和相关化合物 - 香豆素木脂素
• 英文名称: Cleomiscosin D
• 英文别名: clemiscosin D；aquillochin；(2S,3S)-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-5-methoxy-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-9-one
• CAS: 94062-49-4；121700-73-0
• 化学式: C₂₁H₂₀O₉
• 分子量: 416.384
• InChiKey: IXSZNNRKGDOXQI-YJBOKZPZSA-N

物化性质

• 熔点：
  234-236 °C(Solv: methanol (67-56-1))
• 沸点：
  647.8±55.0 °C(Predicted)
• 密度：
  1.391±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  30
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  113
• 氢给体数：
  2
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  8-Hydroxy-7-[2-hydroxy-2-(4-hydroxy-3,5-dimethoxy-phenyl)-1-hydroxymethyl-ethoxy]-6-methoxy-chromen-2-one 、 盐酸 生成 Cleomiscosin D
  参考文献：
  名称：

  TANAKA, HITOSHI;ISHIHARA, MASAYA;ICHINO, KAZUHIKO;ITO, KAZUO, CHEM. AND PHARM. BULL., 36,(1988) N 10, C. 3833-3837

  摘要：

  DOI：

文献信息

• Syntheses of Natural Coumarinolignans: Oxidative Coupling of 7,8-Dihydroxycoumarins and Phenylpropenes in the Presence of Diphenyl Selenoxide
  作者：Hitoshi Tanaka、Masaya Ishihara、Kazuhiko Ichino、Kazuo Ito

  DOI：10.3987/com-88-4747

  日期：——
• TANAKA, HITOSHI;ISHIHARA, MASAYA;ICHINO, KAZUHIKO;ITO, KAZUO, CHEM. AND PHARM. BULL., 36,(1988) N 10, C. 3833-3837
  作者：TANAKA, HITOSHI、ISHIHARA, MASAYA、ICHINO, KAZUHIKO、ITO, KAZUO

  DOI：——

  日期：——
• [EN] MAPLE TREE-DERIVED PRODUCTS AND USES THEREOF<br/>[FR] PRODUITS ISSUS DE L'ÉRABLE, ET LEUR UTILISATION
  申请人：FEDERATION DES PRODUCTEURS ACERICOLES DU QUEBEC

  公开号：WO2012055010A1

  公开（公告）日：2012-05-03

  The present document describes a neutraceutical, cosmeceuticals, functional food, pharmaceutical, food ingredient, and non-food ingredient compositions comprising sugar maple extract, essential oil compositions comprising oil extracted from an Acer tree, sweetening compositions containing sugar extracted from maple tree leaves, food ingredients comprising maple tree extract, cosmetic composition comprising maple tree extracts, infusion compositions prepared from maple tree leaves, maple roots, maple wood, maple stems of leaves and samara, and stems/twigs as well as compounds isolated from sugar maple biomass and the methods of extracting the same.