Acetic acid (3S,5S,6S,8S,10S,13S,14S,17S)-3-acetoxy-17-((R)-1-hydroxy-1,5-dimethyl-hex-4-enyl)-10,13-dimethyl-2,3,4,5,6,7,8,10,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-6-yl ester | 56312-50-6

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

中文名称

——

中文别名

——

英文名称

Acetic acid (3S,5S,6S,8S,10S,13S,14S,17S)-3-acetoxy-17-((R)-1-hydroxy-1,5-dimethyl-hex-4-enyl)-10,13-dimethyl-2,3,4,5,6,7,8,10,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-6-yl ester

英文别名

Cholesta-9(11),24-diene-3,6,20-triol, 3,6-diacetate, (3beta,5alpha,6alpha,20R)-；[(3S,5S,6S,8S,10S,13S,14S,17S)-6-acetyloxy-17-[(2R)-2-hydroxy-6-methylhept-5-en-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate

Acetic acid (3S,5S,6S,8S,10S,13S,14S,17S)-3-acetoxy-17-((R)-1-hydroxy-1,5-dimethyl-hex-4-enyl)-10,13-dimethyl-2,3,4,5,6,7,8,10,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-6-yl ester化学式

CAS

56312-50-6

化学式

C₃₁H₄₈O₅

mdl

——

分子量

500.719

InChiKey

GUSYTERFCRROHL-UBRAMBDTSA-N

BEILSTEIN

——

EINECS

——

计算性质

辛醇/水分配系数(LogP)：

6.2
重原子数：

36
可旋转键数：

8
环数：

4.0
sp3杂化的碳原子比例：

0.81
拓扑面积：

72.8
氢给体数：

1
氢受体数：

5

上下游信息

上游原料

中文名称	英文名称	CAS号	化学式	分子量
——	(3S,5S,6S,8S,10S,13S,14S,17S)-17-((R)-1-Hydroxy-1,5-dimethyl-hex-4-enyl)-10,13-dimethyl-2,3,4,5,6,7,8,10,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,6-diol	37926-46-8	C₂₇H₄₄O₃	416.645

反应信息

作为反应物：

描述：

Acetic acid (3S,5S,6S,8S,10S,13S,14S,17S)-3-acetoxy-17-((R)-1-hydroxy-1,5-dimethyl-hex-4-enyl)-10,13-dimethyl-2,3,4,5,6,7,8,10,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-6-yl ester 在吡啶、三氯氧磷作用下，生成 (3S,5S,6S,8S,10S,13S,14S,17R)-17-((Z)-1,5-Dimethyl-hexa-1,4-dienyl)-10,13-dimethyl-2,3,4,5,6,7,8,10,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,6-diol

参考文献：

名称：

5α-cholesta-9(11),17(20),24-triene-3β,6α-diol, a minor genin from the star fish acanthaster planci

摘要：

DOI：

10.1016/s0040-4039(01)94145-0
作为产物：

描述：

5-溴-2-甲基-2-戊烯生成 Acetic acid (3S,5S,6S,8S,10S,13S,14S,17S)-3-acetoxy-17-((R)-1-hydroxy-1,5-dimethyl-hex-4-enyl)-10,13-dimethyl-2,3,4,5,6,7,8,10,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-6-yl ester

参考文献：

名称：

5α-cholesta-9(11),17(20),24-triene-3β,6α-diol, a minor genin from the star fish acanthaster planci

摘要：

DOI：

10.1016/s0040-4039(01)94145-0

点击查看最新优质反应信息

文献信息

5α-cholesta-9(11),17(20),24-triene-3β,6α-diol, a minor genin from the star fish acanthaster planci

作者：Younus M. Sheikh、B. Tursch、Carl Djerasai

DOI：10.1016/s0040-4039(01)94145-0

日期：1972.1

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