loliolide | 61927-07-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并呋喃
• 英文名称: loliolide
• 英文别名: 6-hydroxy-4,4,7a-trimethyl-5,6,7,7a-tetrahydrobenzofuran-2(4H)-one；Loliolid；Digiprolacton；6-hydroxy-4,4,7a-trimethyl-6,7-dihydro-5H-1-benzofuran-2-one
• CAS: 61927-07-9
• 化学式: C₁₁H₁₆O₃
• mdl: MFCD27969077
• 分子量: 196.246
• InChiKey: XEVQXKKKAVVSMW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  14
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.727
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  loliolide 在 氨 、 silver carbonate 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 24.0h， 生成 Loliolide-β-D-glucopyranoside
  参考文献：
  名称：

  Kodama, Hisashi; Fujimori, Takane; Kato, Kunio, Agricultural and Biological Chemistry, 1982, vol. 46, # 5, p. 1409 - 1412

  摘要：

  DOI：
• 作为产物：
  描述：

  Loliolide-β-D-glucopyranoside 在 potassium phosphate buffer (pH: 5.25) 作用下， 反应 24.0h， 生成 loliolide
  参考文献：
  名称：

  Kodama, Hisashi; Fujimori, Takane; Kato, Kunio, Agricultural and Biological Chemistry, 1982, vol. 46, # 5, p. 1409 - 1412

  摘要：

  DOI：

文献信息

• Anjaneyulu; Venkateswarlu; Mallavadhani, Journal of the Indian Chemical Society, 1990, vol. 67, # 6, p. 525 - 526
  作者：Anjaneyulu、Venkateswarlu、Mallavadhani

  DOI：——

  日期：——
• Cucurbitane-Triterpenoid Compounds, Pharmaceutical Composition, Use and Preparation Method Thereof
  申请人：HUANG CHING-JANG

  公开号：US20120252772A1

  公开（公告）日：2012-10-04

  Disclosed is a cucurbitane-triterpenoid compound for activating estrogen receptor activity, and a pharmaceutical composition, use and preparation method thereof. The cucurbitane-triterpenoid compound is presented as formula (I): wherein a single bond or a double bond is formed between C5 and C10, and a single bond or a double bond is fromed between C8 and C9; when a single bond is formed between C5 and C10, the R 1 is oxygen; while a single bond is formed between C8 and C9, R 2 is carbonyl group (—C═O), methyl hydroxyl group (—CH(OH)), methyl ketone or methyl dimethoxy group (—CH(OCH 3 ) 2 ); and wherein while R 1 is oxygen (—O—) and R 2 is carbonyl group (—C═O) or methyl hydroxyl group (—CH(OH)), a single bond is formed between R 1 (—O—) and C19 of R 2 such that R 1 and R 2 are formed tetrahydro-2H-pyran-2-one or hemiacetal ring.
• US8669244B2
  申请人：——

  公开号：US8669244B2

  公开（公告）日：2014-03-11
• Kodama, Hisashi; Fujimori, Takane; Kato, Kunio, Agricultural and Biological Chemistry, 1982, vol. 46, # 5, p. 1409 - 1412
  作者：Kodama, Hisashi、Fujimori, Takane、Kato, Kunio

  DOI：——

  日期：——