[(2R,3R,4S,5R,6S)-6-[(2R,3S,4R,5R,6S)-6-[(2S,3R,4S,5S,6R)-3,5-diacetyloxy-2-[(2R,3R,4S,5R,6R)-4-acetyloxy-5-(2,2-dimethylpropanoyloxy)-2-(2,2-dimethylpropanoyloxymethyl)-6-phenylmethoxyoxan-3-yl]oxy-6-(2,2-dimethylpropanoyloxymethyl)oxan-4-yl]oxy-5-(1,3-dioxoisoindol-2-yl)-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4-hydroxy-3,5-bis(phenylmethoxy)oxan-2-yl]methyl 4-oxopentanoate | 145531-70-0

分子结构分类

有机化合物 - 脂质和类脂质分子 - 糖脂

中文名称

——

中文别名

——

英文名称

[(2R,3R,4S,5R,6S)-6-[(2R,3S,4R,5R,6S)-6-[(2S,3R,4S,5S,6R)-3,5-diacetyloxy-2-[(2R,3R,4S,5R,6R)-4-acetyloxy-5-(2,2-dimethylpropanoyloxy)-2-(2,2-dimethylpropanoyloxymethyl)-6-phenylmethoxyoxan-3-yl]oxy-6-(2,2-dimethylpropanoyloxymethyl)oxan-4-yl]oxy-5-(1,3-dioxoisoindol-2-yl)-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4-hydroxy-3,5-bis(phenylmethoxy)oxan-2-yl]methyl 4-oxopentanoate

英文别名

——

[(2R,3R,4S,5R,6S)-6-[(2R,3S,4R,5R,6S)-6-[(2S,3R,4S,5S,6R)-3,5-diacetyloxy-2-[(2R,3R,4S,5R,6R)-4-acetyloxy-5-(2,2-dimethylpropanoyloxy)-2-(2,2-dimethylpropanoyloxymethyl)-6-phenylmethoxyoxan-3-yl]oxy-6-(2,2-dimethylpropanoyloxymethyl)oxan-4-yl]oxy-5-(1,3-dioxoisoindol-2-yl)-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4-hydroxy-3,5-bis(phenylmethoxy)oxan-2-yl]methyl 4-oxopentanoate化学式

CAS

145531-70-0

化学式

C₉₃H₁₁₁NO₃₀

mdl

——

分子量

1722.89

InChiKey

UXMPNHBJXAHHBG-XQZWNXJISA-N

BEILSTEIN

——

EINECS

——

计算性质

辛醇/水分配系数(LogP)：

9.7
重原子数：

124
可旋转键数：

46
环数：

11.0
sp3杂化的碳原子比例：

0.51
拓扑面积：

370
氢给体数：

1
氢受体数：

30

反应信息

作为产物：

描述：

乙酰丙酸、 [(2R,3R,4S,5R,6R)-4-acetyloxy-3-[(2S,3R,4S,5S,6R)-3,5-diacetyloxy-6-(2,2-dimethylpropanoyloxymethyl)-4-[(2S,3R,4R,5S,6R)-3-(1,3-dioxoisoindol-2-yl)-5-[(2S,3R,4S,5R,6R)-4-hydroxy-6-(hydroxymethyl)-3,5-bis(phenylmethoxy)oxan-2-yl]oxy-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-(2,2-dimethylpropanoyloxy)-6-phenylmethoxyoxan-2-yl]methyl 2,2-dimethylpropanoate 在三乙烯二胺、 2-氯-1-甲基吡啶碘化物作用下，以 1,2-二氯乙烷为溶剂，反应 0.67h，生成 [(2R,3R,4S,5R,6S)-6-[(2R,3S,4R,5R,6S)-6-[(2S,3R,4S,5S,6R)-3,5-diacetyloxy-2-[(2R,3R,4S,5R,6R)-4-acetyloxy-5-(2,2-dimethylpropanoyloxy)-2-(2,2-dimethylpropanoyloxymethyl)-6-phenylmethoxyoxan-3-yl]oxy-6-(2,2-dimethylpropanoyloxymethyl)oxan-4-yl]oxy-5-(1,3-dioxoisoindol-2-yl)-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4-hydroxy-3,5-bis(phenylmethoxy)oxan-2-yl]methyl 4-oxopentanoate

参考文献：

名称：

Synthesis of triantennary blood group I antigens: Neolacto-glycopentadecaosyl ceramide

摘要：

A stereocontrolled total synthesis of triantennary neolacto-glycopentadecaosyl

DOI：

10.1016/s0040-4039(00)60969-3

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