Δ⁵-pregnene 3β,17α,20(S)-triol 3-O-(4',6'-dideoxy-3'-O-methyl-Δ^3'-D-2'-hexosuloside) | 112899-63-5

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 类固醇和类固醇衍生物
• 英文名称: Δ⁵-pregnene 3β,17α,20(S)-triol 3-O-(4',6'-dideoxy-3'-O-methyl-Δ^3'-D-2'-hexosuloside)
• 英文别名: periplocogenin；6-[[(3S,8R,9S,10R,13S,14S,17R)-17-hydroxy-17-[(1S)-1-hydroxyethyl]-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-methoxy-2-methyl-2H-pyran-5-one
• CAS: 112899-63-5
• 化学式: C₂₈H₄₂O₆
• 分子量: 474.638
• InChiKey: BKSQGHJUZLOGBO-MVCGYQQYSA-N

物化性质

• 沸点：
  620.5±55.0 °C(Predicted)
• 密度：
  1.20±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.29
• 重原子数：
  34.0
• 可旋转键数：
  4.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.82
• 拓扑面积：
  85.22
• 氢给体数：
  2.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  Δ⁵-pregnene 3β,17α,20(S)-triol 3-O-(4',6'-dideoxy-3'-O-methyl-Δ^3'-D-2'-hexosuloside) 生成 (4S)-4-[[(3S,8R,9S,10R,13S,14S,17R)-17-hydroxy-17-[(1S)-1-hydroxyethyl]-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-methoxy-6-methyloxan-3-ol
  参考文献：
  名称：

  ITOKAWA, HIDEJI;XU, JUNPING;TAKEYA, KOICHI, CHEM. AND PHARM. BULL., 35,(1987) N 11, 4524-4529

  摘要：

  DOI：
• 作为产物：
  描述：

  Δ⁵-pregnene-3β,17α,20(S)-triol 3-O-(4',6'-dideoxy-3'-O-methyl-Δ^3'-D-2'-hexosuloside) 20-O-β-D-digitalopyranosyl-(1->4)-β-D-cymaropyranosyl-(1->4)-β-D-canaropyranosyl-(1->4)-β-D-digitoxopyranosyl-(1->5)-3,7-dideoxy-4-O-methyl-α-D-gluco-2-... 生成 Δ⁵-pregnene 3β,17α,20(S)-triol 3-O-(4',6'-dideoxy-3'-O-methyl-Δ^3'-D-2'-hexosuloside)
  参考文献：
  名称：

  ITOKAWA, HIDEJI;XU, JUNPING;TAKEYA, KOICHI, CHEM. AND PHARM. BULL., 36,(1988) N1, C. 4441-4446

  摘要：

  DOI：

文献信息

• Studies on chemical constituents of antitumor fraction from Periploca sepium. V. Structures of new pregnane glycosides, periplocosides J, K, F and O.
  作者：HIDEJI ITOKAWA、JUNPING XU、KOICHI TAKEYA

  DOI：10.1248/cpb.36.4441

  日期：——

  Four new pregnane glycosides, named periplocosides J, K, F and O, have been isolated from the antitumor fraction of Periploca sepium (Asclepiadaceae). Their structures were established by various nuclear magnetic resonance techniques and chemical evidence.

  从杠柳（夹竹桃科）的抗肿瘤部位中分离出了四种新的孕烷糖苷，分别命名为杠柳苷J、K、F和O。它们的结构通过多种核磁共振技术和化学证据得以确定。
• ITOKAWA, HIDEJI;XU, JUNPING;TAKEYA, KOICHI, CHEM. AND PHARM. BULL., 35,(1987) N 11, 4524-4529
  作者：ITOKAWA, HIDEJI、XU, JUNPING、TAKEYA, KOICHI

  DOI：——

  日期：——
• ITOKAWA, HIDEJI;XU, JUNPING;TAKEYA, KOICHI, CHEM. AND PHARM. BULL., 36,(1988) N1, C. 4441-4446
  作者：ITOKAWA, HIDEJI、XU, JUNPING、TAKEYA, KOICHI

  DOI：——

  日期：——