(9'S,10'S,13'R,17'S)-17'-(4,4-dimethyl-3-methylenepentyl)-9',10',13'-trimethyl-1',2',6',7',9',10',11',12',13',15',16',17'-dodecahydrospiro[cyclopentane-1,3'-cyclopenta[a]phenanthrene] | 126208-92-2

分子结构分类

有机化合物 - 有机杂环化合物 - 噻庚烷

中文名称

——

中文别名

——

英文名称

(9'S,10'S,13'R,17'S)-17'-(4,4-dimethyl-3-methylenepentyl)-9',10',13'-trimethyl-1',2',6',7',9',10',11',12',13',15',16',17'-dodecahydrospiro[cyclopentane-1,3'-cyclopenta[a]phenanthrene]

英文别名

——

(9'S,10'S,13'R,17'S)-17'-(4,4-dimethyl-3-methylenepentyl)-9',10',13'-trimethyl-1',2',6',7',9',10',11',12',13',15',16',17'-dodecahydrospiro[cyclopentane-1,3'-cyclopenta[a]phenanthrene]化学式

CAS

126208-92-2

化学式

C₂₃H₂₉F₃O₂S₂

mdl

——

分子量

458.609

InChiKey

GUNBQYDTMZFIIA-KYFSNAEOSA-N

BEILSTEIN

——

EINECS

——

计算性质

辛醇/水分配系数(LogP)：

6.52
重原子数：

30.0
可旋转键数：

2.0
环数：

5.0
sp3杂化的碳原子比例：

0.78
拓扑面积：

26.3
氢给体数：

0.0
氢受体数：

4.0

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
——	17β-Hydroxymethyl-estra-4,8(14)-dien-3,3-ethylendithioketal	126247-48-1	C₂₁H₃₀OS₂	362.601

反应信息

作为产物：

描述：

3,3-Ethylendithio-oestra-4,8(14)-dien-17β-carbaldehyd 在 sodium tetrahydroborate 作用下，以乙醇、氯仿为溶剂，反应 0.5h，生成 (9'S,10'S,13'R,17'S)-17'-(4,4-dimethyl-3-methylenepentyl)-9',10',13'-trimethyl-1',2',6',7',9',10',11',12',13',15',16',17'-dodecahydrospiro[cyclopentane-1,3'-cyclopenta[a]phenanthrene]

参考文献：

名称：

Schubert, G.; Schoenecker, B.; Ponsold, K., Pharmazie, 1989, vol. 44, # 5, p. 310 - 311

摘要：

DOI：

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