(4aR)-4t.5t.10c-Trihydroxy-3c-(2-methyl-buten-(2t)-oyloxy)-2.2.6at.6bc.9.9.12ac-heptamethyl-4ar-hydroxymethyl-(8atH.12btH.14bcH)-Δ¹⁴-eicosahydro-picen | 16910-21-7

• 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: (4aR)-4t.5t.10c-Trihydroxy-3c-(2-methyl-buten-(2t)-oyloxy)-2.2.6at.6bc.9.9.12ac-heptamethyl-4ar-hydroxymethyl-(8atH.12btH.14bcH)-Δ¹⁴-eicosahydro-picen
• 英文别名: Tiglinsaeure-(3β.16α.22α.28-tetrahydroxy-oleanen-(12)-yl-(21β)-ester)；21β-Tigloyloxy-oleanen-(12)-tetrol-(3β.16α.22α.28)；Jegosapogenin；[(3R,4R,4aR,5R,6aR,6aS,6bR,8aR,10S,12aR,14bS)-4,5,10-trihydroxy-4a-(hydroxymethyl)-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicen-3-yl] (E)-2-methylbut-2-enoate
• CAS: 16910-21-7
• 化学式: C₃₅H₅₆O₆
• 分子量: 572.826
• InChiKey: SJSCBAFROHXGCX-BNIUCBNOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.4
• 重原子数：
  41
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  107
• 氢给体数：
  4
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  (4aR)-4t.5t.10c-Trihydroxy-3c-(2-methyl-buten-(2t)-oyloxy)-2.2.6at.6bc.9.9.12ac-heptamethyl-4ar-hydroxymethyl-(8atH.12btH.14bcH)-Δ¹⁴-eicosahydro-picen 在 氢氧化钾 作用下， 生成 玉蕊皂苷元C
  参考文献：
  名称：

  Asahina; Momoya, Yakugaku Zasshi/Journal of the Pharmaceutical Society of Japan, 1915, # 395, p. 1,10; dtsch. Ref. S. 1, 8

  摘要：

  DOI：
• 作为产物：
  描述：

  barringtogenol C-3-O-α-L-rhamnopyranosyl(1-2)-β-D-galactopyranosyl(1-3)-(β-D-glucopyranosyl(1-2)-β-D-glucuronopyranoside) 在 硫酸 作用下， 生成 (4aR)-4t.5t.10c-Trihydroxy-3c-(2-methyl-buten-(2t)-oyloxy)-2.2.6at.6bc.9.9.12ac-heptamethyl-4ar-hydroxymethyl-(8atH.12btH.14bcH)-Δ¹⁴-eicosahydro-picen
  参考文献：
  名称：

  Triterpenoid saponins from Berneuxia thebetica

  摘要：

  Four triterpenoid saponins were isolated from Berneuxia thibetica. On the basis of chemical and spectroscopic evidence, three new saponins, berneuxia saponins A, B and C, were elucidated as 21-tigloylbarringtogenol C-3 beta-O-alpha-L-rhamnopyranosyl(1-->2)-beta-D-galactopyranosyl(1-->3)[bet a- D-glucopyranosyl(1-->2)-beta-D-glucuronopyranoside], 28-tigloylbarringtogenol C-3 beta-O-alpha-L-rhamnopyranosyl(1-->2)-beta-D-galactopyranosyl(1-->3)[bet a- D-glucopyranosyl(1-->2)-beta-D-glucuronopyranoside] and 16 alpha-28-dihydroxyolean-12-en-21-one-3-O-alpha-L-rhamnopyranosyl(1 -->2) -beta-D-galactopyranosyl(1-->3)[beta-D-glucopyranosyl(1-->2)-beta-D- glucuronopyranoside]. The known saponin was desacyl jegosaponin.

  DOI：

  10.1016/s0031-9422(97)00850-9

文献信息

• Asahina; Momoya, Yakugaku Zasshi/Journal of the Pharmaceutical Society of Japan, 1914, # 384, p. 105,123, 125
  作者：Asahina、Momoya

  DOI：——

  日期：——
• The structure of jegosapogenin: 21-tigloyl-barringtogenol C
  作者：Teruaki Hayashi、Chū-ichi Koshiro、Toshibumi Adachi、Itiro Yosioka、Isao Kitagawa

  DOI：10.1016/s0040-4039(00)71605-4

  日期：1967.1
• Sone, Acta Phytochimica, 1934, vol. 8, p. 23
  作者：Sone

  DOI：——

  日期：——
• Sone, Acta Phytochimica, 1936, vol. 9, p. 83,87
  作者：Sone

  DOI：——

  日期：——
• Matsunami, Yakugaku Zasshi/Journal of the Pharmaceutical Society of Japan, 1927, p. 557,568; dtsch. Ref. S. 87
  作者：Matsunami

  DOI：——

  日期：——