β-amyrin | 107596-78-1

• 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
• 英文名称: β-amyrin
• 英文别名: (4aR,6aR,6bS,8aR,12aR,14aR,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-ol
• CAS: 107596-78-1
• 化学式: C₃₀H₅₀O
• 分子量: 426.726
• InChiKey: JFSHUTJDVKUMTJ-RYYHYDINSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.2
• 重原子数：
  31
• 可旋转键数：
  0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.93
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  β-amyrin 在 Jones reagent 、 铬酸叔丁酯 、 乙酸酐 、 溶剂黄146 作用下， 以 丙酮 为溶剂， 反应 6.0h， 生成 齐墩果-12-烯-3,11-二酮
  参考文献：
  名称：

  Chemical Constituents of Psychotria nemorosa Gardner and Antinociceptive Activity

  摘要：

  Through dereplication strategies using gas chromatography-mass spectrometry (GC-MS) and ultra fast liquid chromatography-tandem mass spectrometry (UFLC-MS/MS), the ethanol extract from Psycotria nemorosa leaves (Rubiaceae) showed to be composed of: cinnamic acid, dihydroactinidiolide, 4-hydroxy-beta-ionone, phytol, isophytol, 4,8,12,16-tetramethylheptadecan-4-olide, lupeol, a mixture of alpha/beta-amyrin, the keto and acetylated derivatives, besides stigmast-4-en-3-one, campesterol, stigmasterol and gamma-sitosterol by GC-MS. Likewise, by UFLC-MS/MS, the main compounds identified were: butin, resveratrol, rutin, kaempferol 7-O-beta-D-glucopyranoside, deacetylasperuloside, epiloganin, hordenine, strictosidine, N-methyl-1,2,3,4-tetrahydro-beta-carboline and N-formyl-tryptamine. The antinociceptive activity of the crude extract ant its fractions was reported.

  DOI：

  10.21577/0103-5053.20160219

文献信息

• Botanical extracts and compounds from Castanea plants and methods of use
  申请人：Emory University

  公开号：US10195241B2

  公开（公告）日：2019-02-05

  This disclosure relates to extracts from chestnut plants and compositions comprising compounds contained therein. In certain embodiments, the extracts are derived from the leaves of a Castanea plant. In certain embodiments, the disclosure relates to methods of treating or preventing bacterial infections, acne, and other related uses.

  本公开涉及从栗树植物中提取的提取物以及包含其中所含化合物的组合物。在某些实施方案中，提取物来自蓖麻植物的叶子。在某些实施方案中，本公开涉及治疗或预防细菌感染、痤疮及其他相关用途的方法。
• Anti-Inflammatory and Anti-Allergy Extracts from Nettle
  申请人：Alberte Randall S.

  公开号：US20100009927A1

  公开（公告）日：2010-01-14

  The present invention relates in part to nettle extracts that are useful for treating or preventing seasonal allergies, allergic rhinitis, and other inflammatory conditions.
• Botanical Extracts and Compounds from Castanea Plants and Methods of Use
  申请人：Emory University

  公开号：US20160375074A1

  公开（公告）日：2016-12-29

  This disclosure relates to extracts from chestnut plants and compositions comprising compounds contained therein. In certain embodiments, the extracts are derived from the leaves of a Castanea plant. In certain embodiments, the disclosure relates to methods of treating or preventing bacterial infections, acne, and other related uses.
• [EN] ANTI-INFLAMMATORY AND ANTI-ALLERGY EXTRACTS FROM NETTLE<br/>[FR] EXTRAITS D'ORTIE ANTI-INFLAMMATOIRES ET ANTIALLERGIQUES
  申请人：HERBALSCIENCE GROUP LLC

  公开号：WO2010009091A2

  公开（公告）日：2010-01-21

  The present invention relates in part to nettle extracts that are useful for treating or preventing seasonal allergies, allergic rhinitis, and other inflammatory conditions.
• Chemical Constituents of Psychotria nemorosa Gardner and Antinociceptive Activity
  作者：Nivea Calixto、Millena Cordeiro、Thais Giorno、Gibson Oliveira、Norberto Lopes、Patricia Fernandes、Angelo Pinto、Claudia Rezende

  DOI：10.21577/0103-5053.20160219

  日期：——

  Through dereplication strategies using gas chromatography-mass spectrometry (GC-MS) and ultra fast liquid chromatography-tandem mass spectrometry (UFLC-MS/MS), the ethanol extract from Psycotria nemorosa leaves (Rubiaceae) showed to be composed of: cinnamic acid, dihydroactinidiolide, 4-hydroxy-beta-ionone, phytol, isophytol, 4,8,12,16-tetramethylheptadecan-4-olide, lupeol, a mixture of alpha/beta-amyrin, the keto and acetylated derivatives, besides stigmast-4-en-3-one, campesterol, stigmasterol and gamma-sitosterol by GC-MS. Likewise, by UFLC-MS/MS, the main compounds identified were: butin, resveratrol, rutin, kaempferol 7-O-beta-D-glucopyranoside, deacetylasperuloside, epiloganin, hordenine, strictosidine, N-methyl-1,2,3,4-tetrahydro-beta-carboline and N-formyl-tryptamine. The antinociceptive activity of the crude extract ant its fractions was reported.