(3S,8R,9S,10S,13S,14S,17R)-3-(tert-Butyl-dimethyl-silanyloxy)-17-ethynyl-13-methyl-10-vinyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-ol | 877675-84-8

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

(3S,8R,9S,10S,13S,14S,17R)-3-(tert-Butyl-dimethyl-silanyloxy)-17-ethynyl-13-methyl-10-vinyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-ol

英文别名

——

(3S,8R,9S,10S,13S,14S,17R)-3-(tert-Butyl-dimethyl-silanyloxy)-17-ethynyl-13-methyl-10-vinyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-ol化学式

CAS

877675-84-8

化学式

C₂₈H₄₄O₂Si

mdl

——

分子量

440.742

InChiKey

DJCIFJKSKKEJES-LWMBYGOMSA-N

BEILSTEIN

——

EINECS

——

计算性质

辛醇/水分配系数(LogP)：

6.87
重原子数：

31.0
可旋转键数：

3.0
环数：

4.0
sp3杂化的碳原子比例：

0.79
拓扑面积：

29.46
氢给体数：

1.0
氢受体数：

2.0

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,8R,9S,10S,13S,14S,17S)-3-(tert-Butyl-dimethyl-silanyloxy)-13-methyl-10-vinyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-ol	866824-66-0	C₂₆H₄₄O₂Si	416.72
——	(3S,8R,9S,10S,13S,14S)-3-(tert-Butyl-dimethyl-silanyloxy)-13-methyl-10-vinyl-1,2,3,4,7,8,9,10,11,12,13,14,15,16-tetradecahydro-cyclopenta[a]phenanthren-17-one	866824-67-1	C₂₆H₄₂O₂Si	414.704

反应信息

作为反应物：

描述：

(3S,8R,9S,10S,13S,14S,17R)-3-(tert-Butyl-dimethyl-silanyloxy)-17-ethynyl-13-methyl-10-vinyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-ol 在四丁基氟化铵作用下，以四氢呋喃为溶剂，生成 (3S,8R,9S,10S,13S,14S,17R)-17-Ethynyl-13-methyl-10-vinyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol

参考文献：

名称：

Androstenediol analogs as ER-β-selective SERMs

摘要：

A series of 19-substituted androstenediol derivatives was prepared. Some of the novel analogs were surprisingly potent and selective ligands for ER-beta. (c) 2005 Elsevier Ltd. All rights reserved.

DOI：

10.1016/j.bmcl.2005.11.014
作为产物：

描述：

(3S,8R,9S,10S,13S,14S,17S)-3-(tert-Butyl-dimethyl-silanyloxy)-13-methyl-10-vinyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-ol 在 N-甲基吲哚酮、四丙基高钌酸铵作用下，以四氢呋喃、二氯甲烷为溶剂，生成 (3S,8R,9S,10S,13S,14S,17R)-3-(tert-Butyl-dimethyl-silanyloxy)-17-ethynyl-13-methyl-10-vinyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-ol

参考文献：

名称：

Androstenediol analogs as ER-β-selective SERMs

摘要：

A series of 19-substituted androstenediol derivatives was prepared. Some of the novel analogs were surprisingly potent and selective ligands for ER-beta. (c) 2005 Elsevier Ltd. All rights reserved.

DOI：

10.1016/j.bmcl.2005.11.014

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