24-methylcholestan-3β,5α,6β,25-tetrol-25-monoacetate | 118374-39-3

• 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: 24-methylcholestan-3β,5α,6β,25-tetrol-25-monoacetate
• 英文别名: 24ξ-methylcholestane-3β,5α,6β,25-tetraol-25-monoacetate；24ξ-methylcholestane-3β,5α,6β,25-tetrol 25-monoacetate；24ξ-methylcholestane-3β,5α,6β,25-tetrol 20-monoacetate；24ξ-methylcholestane-3β,5α,6β,25-tetrol 25-monoaceate；24-methylcholestane-3b,5a,6b,25-tetrol 25-monoacetate；24-Methylcholestane-3beta,5alpha,6beta,25-tetrol 25-mono-acetate；[(6R)-2,3-dimethyl-6-[(3S,5R,6R,8S,9S,10R,13R,14S,17R)-3,5,6-trihydroxy-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]heptan-2-yl] acetate
• CAS: 118374-39-3
• 化学式: C₃₀H₅₂O₅
• 分子量: 492.74
• InChiKey: NTYRSMDNACWFJE-UVEFGDBDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.2
• 重原子数：
  35
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.97
• 拓扑面积：
  87
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  24-methylcholestan-3β,5α,6β,25-tetrol-25-monoacetate 在 chromium(VI) oxide 、 盐酸 、 溶剂黄146 作用下， 以 氯仿 为溶剂， 生成 Acetic acid (R)-5-((8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3,6-dioxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-1,1,2-trimethyl-hexyl ester
  参考文献：
  名称：

  24ξ-Methylcholestane-3β,5a,6β,25-tetrql 25-monoacetate a novel polyhydroxylated steroid from an alcyonarian

  摘要：

  DOI：

  10.1016/0039-128x(74)90036-1

文献信息

• Studies on marine natural products. II. New polyhydroxylated sterols from the soft coral Lobophytum pauciflorum (Ehrenberg).
  作者：YASUJI YAMADA、SUKEJI SUZUKI、KAZUO IGUCHI、HIROYUKI KIKUCHI、YASUMASA TSUKITANI、HARUO HORIAI、HAJIME NAKANISHI

  DOI：10.1248/cpb.28.473

  日期：——

  Three new polyhydroxylated sterols (II), (IV) and (VI), along with the known sterol (I), were isolated from the Japanese soft coral Lobophytum pauciflorum (Ehrenberg). The structures of II, IV and VI were established to be 24ζ-methylcholestane-3β, 5α, 6β, 25-tetrol, 24ζ-methylcholestane-1β, 3β, 5α, 6β-tetrol and 24-methylenecholestane-1β, 3β, 5α, 6β-tetrol, respectively.

  从日本软珊瑚 Lobophytum pauciflorum (Ehrenberg) 中分离出三种新的多羟基固醇（II）、（IV）和（VI）以及已知的固醇（I）。II、IV和VI的结构分别为24ζ-甲基胆烷-3β, 5α, 6β, 25-四醇、24ζ-甲基胆烷-1β, 3β, 5α, 6β-四醇和24-亚甲基胆烷-1β, 3β, 5α, 6β-四醇。
• 24ξ-Methylcholestane-3β,5a,6β,25-tetrql 25-monoacetate a novel polyhydroxylated steroid from an alcyonarian
  作者：J.Michael Moldowan、Bernard M. Tursch、Carl Djerassi

  DOI：10.1016/0039-128x(74)90036-1

  日期：1974.9