5BETA-羟基木香酸 | 132185-84-3

• 物质功能分类: 天然产物 - 倍半萜
• 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
• 中文名称: 5BETA-羟基木香酸
• 英文名称: 5β-hydroxycostic acid
• 英文别名: 5beta-Hydroxycostic acid；2-[(2R,4aR,8aS)-8a-hydroxy-4a-methyl-8-methylidene-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl]prop-2-enoic acid
• CAS: 132185-84-3
• 化学式: C₁₅H₂₂O₃
• 分子量: 250.338
• InChiKey: UEQIFFFWXPAQCB-YUELXQCFSA-N

物化性质

• 沸点：
  406.4±38.0 °C(Predicted)
• 密度：
  1.12±0.1 g/cm3(Predicted)
• 溶解度：
  溶于氯仿、二氯甲烷、乙酸乙酯、DMSO、丙酮等。

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  57.5
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  5BETA-羟基木香酸 、 重氮甲烷 生成 methyl 2-[(2R,4aR,8aS)-8a-hydroxy-4a-methyl-8-methylidene-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl]prop-2-enoate
  参考文献：
  名称：

  ZDERO, C.;BOHLMANN, F.;KING, R. M., PHYTOCHEMISTRY, 29,(1990) N0, C. 3201-3206

  摘要：

  DOI：
• 作为产物：
  描述：

  5β-O-(β-D-glucopyranosyloxyl)-eudesma-4(15),11(13)-dien-12-oic acid 生成 5BETA-羟基木香酸
  参考文献：
  名称：

  Eudesmane and megastigmane glucosides from Laggera alata

  摘要：

  Four eudesmane glucosides. alatosides A-D (1-4), and one megastigmane glucoside, alatoside E (5), were isolated from the BuOH fraction of Laggera alata along with six known compounds. Structures of the new compounds were elucidated by a combination of chemical and spectroscopic methods. Alatosides A-E were characterized as: 1alpha-O-(beta-D-glucopyranosyloxyl)-7-epi-eudesmal-11-en-2beta,4alpha-diol (1) 2beta-O-(beta-D-glucopyranosyloxyl)-eudesma-4alpha-hydroxyl-11(13)-en-12-oic-acid (2), 5beta-O-(beta-D-glucopyranosyloxyl)-eudesma-4(15),11(13)-dien-12-oic-acid (3), 5alpha-O-(beta-D-glucopyranosyloxyl)-eudesma-3,11(13)-dien-12-oic acid (4) and 3beta-O-(beta-D-glucopyranosyloxyl)-megastigma-9-one (5), respectively. Based on the chemical characteristics of eudesmane derivatives isolated from the Laggera genus, it Was suggested that there are probably two different biogenetic pathways for these secondary metabolites in this genus. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/s0031-9422(03)00370-4

文献信息

• SANZ, JUAN F.;FALCO, ENRIQUE;MARCO, J. ALBERTO, J. NATUR. PROD., 53,(1990) N, C. 940-945
  作者：SANZ, JUAN F.、FALCO, ENRIQUE、MARCO, J. ALBERTO

  DOI：——

  日期：——

表征谱图