(3aR,4aR,5'R,7aR,8aR,8bS,10aS,10bR,11S,12R,13aS,14aS,14bS,15aS)-2,2,5',6,6,8a,10a,11-octamethylicosahydro-4H-spiro[furo[2'',3'':4',5']cyclopenta[1',2':7,8]phenanthro[2,3-d:10,10a-d']bis([1,3]dioxole)-12,2'-pyran] | 137318-79-7

• 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: (3aR,4aR,5'R,7aR,8aR,8bS,10aS,10bR,11S,12R,13aS,14aS,14bS,15aS)-2,2,5',6,6,8a,10a,11-octamethylicosahydro-4H-spiro[furo[2'',3'':4',5']cyclopenta[1',2':7,8]phenanthro[2,3-d:10,10a-d']bis([1,3]dioxole)-12,2'-pyran]
• CAS: 137318-79-7
• 化学式: C₃₃H₅₂O₆
• 分子量: 544.772
• InChiKey: LRJNKQHGGHLUCW-HMEXBFRYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.45
• 重原子数：
  39.0
• 可旋转键数：
  0.0
• 环数：
  8.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  55.38
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为产物：
  描述：

  (25R)-5α-Spirostan-2α,3β,5α,6α-tetraol 、 2,2-二甲氧基丙烷 在 对甲苯磺酸 作用下， 反应 4.0h， 以5.9 mg的产率得到(3aR,4aR,5'R,7aR,8aR,8bS,10aS,10bR,11S,12R,13aS,14aS,14bS,15aS)-2,2,5',6,6,8a,10a,11-octamethylicosahydro-4H-spiro[furo[2'',3'':4',5']cyclopenta[1',2':7,8]phenanthro[2,3-d:10,10a-d']bis([1,3]dioxole)-12,2'-pyran]
  参考文献：
  名称：

  Steroidal saponins from Allium giganteum and A. aflatunense

  摘要：

  Chemical examination of the bulbs of Allium giganteum and A. aflatunense has led to the isolation of two new steroidal saponins together with a known saponin. The structure of the new saponin from A. giganteum was characterized as (24S,25R)-5-alpha-spirostan-2-alpha,3-beta,5-alpha,6-beta,24-pentaol 24-O-beta-D-glucopyranoside and that from A. aflatunense as (25R)-5-aplha-spirostan-2-alpha,3-beta,5-alpha,6-alpha-tetraol 2-O-beta-D-glucopyranoside by spectral and chemical means, and by comparing the data with those of a known compound.

  DOI：

  10.1016/s0031-9422(00)98253-0