(3β,7β,9β,10α,23E)-3-(β-D-allopyranosyloxy)-7-hydroxy-25-methoxy-9-norlanosta-5,23-diene-9-carboxaldehyde | 1446446-11-2

• 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: (3β,7β,9β,10α,23E)-3-(β-D-allopyranosyloxy)-7-hydroxy-25-methoxy-9-norlanosta-5,23-diene-9-carboxaldehyde
• 英文别名: (3β,7β,23E)-3,7-dihydroxy-25-methoxycucurbita-5,23-dien-19-al 3-β-D-allopyranoside；(3S,7S,8S,9R,10R,13R,14S,17R)-7-hydroxy-17-[(E,2R)-6-methoxy-6-methylhept-4-en-2-yl]-4,4,13,14-tetramethyl-3-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-9-carbaldehyde
• CAS: 1446446-11-2
• 化学式: C₃₇H₆₀O₉
• 分子量: 648.878
• InChiKey: ZPWBHMBHBDNVHL-RZVVXSJGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  46
• 可旋转键数：
  9
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  146
• 氢给体数：
  5
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  (3β,7β,9β,10α,23E)-3-(β-D-allopyranosyloxy)-7-hydroxy-25-methoxy-9-norlanosta-5,23-diene-9-carboxaldehyde 在 盐酸 作用下， 以 甲醇 为溶剂， 反应 4.0h， 生成 D-allose
  参考文献：
  名称：

  Cucurbitane-Type Triterpenoids fromMomordica charantia

  摘要：

  AbstractThe six new cucurbitane‐type triterpenoids 1–6, along with the ten known triterpenoids 7–16, were isolated from the vines and leaves of Momordica charantia. The structures of the new compounds were elucidated as (3β,7β,15β,23E)‐3,7,15,25‐tetrahydroxycucurbita‐5,23‐dien‐19‐al (1), (3β,7β)‐3,7,22,23‐tetrahydroxycucurbita‐5,24‐dien‐19‐al (2), (3β,7β)‐3,7,23,24‐tetrahydroxycucurbita‐5,25‐dien‐19‐al (3), (3β,7β,23S)‐3,7,23‐trihydroxycucurbita‐5,24‐dien‐19‐al 7‐β‐D‐glucopyranoside (4), (3β,7β,23E)‐cucurbita‐5,23‐diene‐3,7,19,25‐tetrol 7‐β‐D‐glucopyranoside (5), and (3β,7β,23E)‐3,7‐dihydroxy‐25‐methoxy‐cucurbita‐5,23‐dien‐19‐al 3‐β‐D‐allopyranoside (6), by extensive analyses of their spectral data, as well as by chemical methods.

  DOI：

  10.1002/hlca.201200329