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1-Naphthylmethyl deoxycholate | 344771-21-7

中文名称
——
中文别名
——
英文名称
1-Naphthylmethyl deoxycholate
英文别名
deoxycholic acid 1-naphthylmethyl ester;1-naphthylmethyl 3α,12α-dihydroxy-5β-cholan-24-oate;naphthalen-1-ylmethyl (4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate
1-Naphthylmethyl deoxycholate化学式
CAS
344771-21-7
化学式
C35H48O4
mdl
——
分子量
532.764
InChiKey
OYFQRIGZDMRFLE-LTLOGKLESA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

计算性质

  • 辛醇/水分配系数(LogP):
    8
  • 重原子数:
    39
  • 可旋转键数:
    7
  • 环数:
    6.0
  • sp3杂化的碳原子比例:
    0.69
  • 拓扑面积:
    66.8
  • 氢给体数:
    2
  • 氢受体数:
    4

上下游信息

  • 下游产品
    中文名称 英文名称 CAS号 化学式 分子量

反应信息

  • 作为反应物:
    描述:
    1-Naphthylmethyl deoxycholatecalcium hydride苄基三乙基氯化铵 作用下, 以 甲苯 为溶剂, 反应 24.0h, 以0.185 g的产率得到[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-12-[(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-10,13-dimethyl-3,12-bis(phenylmethoxy)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]oxy-10,13-dimethyl-17-[(2R)-5-(naphthalen-1-ylmethoxy)-5-oxopentan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] (4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-10,13-dimethyl-3,12-bis(phenylmethoxy)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate
    参考文献:
    名称:
    Adaptive Dendron:  A Bile Acid Oligomer Behaving as Both Normal and Inverse Micellar Mimic
    摘要:
    The normal and inverse micellar property of a bile-acid-based dendritic structure was established through dye solubilization studies in both polar and nonpolar media.
    DOI:
    10.1021/ol052631+
  • 作为产物:
    描述:
    去氧胆酸(氯甲基)萘1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下, 以 N,N-二甲基甲酰胺 为溶剂, 以79%的产率得到1-Naphthylmethyl deoxycholate
    参考文献:
    名称:
    First bile acid-derived chiral dendritic species with nanometric dimensions
    摘要:
    本文介绍了支链胆汁酸低聚物的首次合成。
    DOI:
    10.1039/a907297g
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文献信息

  • Hydroxyl-Terminated Dendritic Oligomers from Bile Acids:  Synthesis and Properties
    作者:N. Vijayalakshmi、Uday Maitra
    DOI:10.1021/jo052173i
    日期:2006.1.1
    [GRAPHICS]The high reactivity of the chloroacetyl group has been exploited for the synthesis of bile acid based first and second generation dendrons with multiple hydroxyl groups. The synthesis involves only a few steps and avoids the use of protecting groups for the terminal hydroxyl groups. These dendritic structures with facially amphiphilic bile acid backbones on the periphery were able to solubilize cresol red, a hydrophilic dye, in a nonpolar solvent. HPLC analysis of the dendrons suggests that hydrophobicity increases with increase in oligomer size, but in each generation, the dendrons with a higher degree of branching are less hydrophobic.
  • Design and Synthesis of Novel Chiral Dendritic Species Derived from Bile Acids
    作者:R. Balasubramanian、Uday Maitra
    DOI:10.1021/jo0013305
    日期:2001.5.1
    Bile acids have been used for the first time as the building block for the construction of dendritic units. Orthogonally functionalized 7-deoxycholic and cholic acid derivatives were synthesized. The construction of a bile acid heptamer, a nonamer, and a decamer using the convergent strategy are described in detail. Chromatographic, spectral, and optical properties of these molecules have been investigated Molecular modeling suggests that these molecules have globular shapes with nanometric dimensions.
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同类化合物

(5β)-17,20:20,21-双[亚甲基双(氧基)]孕烷-3-酮 (5α)-2′H-雄甾-2-烯并[3,2-c]吡唑-17-酮 (3β,20S)-4,4,20-三甲基-21-[[[三(异丙基)甲硅烷基]氧基]-孕烷-5-烯-3-醇-d6 (25S)-δ7-大发酸 (20R)-孕烯-4-烯-3,17,20-三醇 (11β,17β)-11-[4-({5-[(4,4,5,5,5-五氟戊基)磺酰基]戊基}氧基)苯基]雌二醇-1,3,5(10)-三烯-3,17-二醇 齐墩果酸衍生物1 黄麻属甙 黄芪皂苷III 黄芪皂苷 II 黄芪甲苷 IV 黄芪甲苷 黄肉楠碱 黄果茄甾醇 黄杨醇碱E 黄姜A 黄夹苷B 黄夹苷 黄夹次甙乙 黄夹次甙乙 黄夹次甙丙 黄体酮环20-(乙烯缩醛) 黄体酮杂质EPL 黄体酮杂质1 黄体酮杂质 黄体酮杂质 黄体酮EP杂质M 黄体酮EP杂质G(RRT≈2.53) 黄体酮EP杂质F 黄体酮6-半琥珀酸酯 黄体酮 17alpha-氢过氧化物 黄体酮 11-半琥珀酸酯 黄体酮 麦角甾醇葡萄糖苷 麦角甾醇氢琥珀酸盐 麦角甾烷-6-酮,2,3-环氧-22,23-二羟基-,(2b,3b,5a,22R,23R,24S)-(9CI) 麦角甾烷-3,6,8,15,16-五唑,28-[[2-O-(2,4-二-O-甲基-b-D-吡喃木糖基)-a-L-呋喃阿拉伯糖基]氧代]-,(3b,5a,6a,15b,16b,24x)-(9CI) 麦角甾烷-26-酸,5,6:24,25-二环氧-14,17,22-三羟基-1-羰基-,d-内酯,(5b,6b,14b,17a,22R,24S,25S)-(9CI) 麦角甾-8-烯-3-醇 麦角甾-8,24(28)-二烯-26-酸,7-羟基-4-甲基-3,11-二羰基-,(4a,5a,7b,25S)- 麦角甾-7,22-二烯-3-酮 麦角甾-7,22-二烯-17-醇-3-酮 麦角甾-5,24-二烯-26-酸,3-(b-D-吡喃葡萄糖氧基)-1,22,27-三羟基-,d-内酯,(1a,3b,22R)- 麦角甾-5,22,25-三烯-3-醇 麦角甾-4,6,8(14),22-四烯-3-酮 麦角甾-1,4-二烯-3-酮,7,24-二(乙酰氧基)-17,22-环氧-16,25-二羟基-,(7a,16b,22R)-(9CI) 麦角固醇 麦冬皂苷D 麦冬皂苷D 麦冬皂苷 B