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Merck
CN

285781

Sigma-Aldrich

β-雌二醇-3-苯甲酸酯

98%

别名:

1,3,5(10)-雌甾烯-3,17β-二醇-3-苯甲酸酯, 3-羟基雌甾-1,3,5(10)-三烯-17b-醇-3-苯甲酸酯, 苯甲酸雌二醇

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关于此项目

经验公式(希尔记法):
C25H28O3
化学文摘社编号:
分子量:
376.49
Beilstein:
3107526
EC 号:
MDL编号:
UNSPSC代码:
12352103
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方案

98%

旋光性

[α]25/D +60°, c = 1 in dioxane

mp

191-198 °C (lit.)

SMILES字符串

[H][C@]12CC[C@]3(C)[C@@H](O)CC[C@@]3([H])[C@]1([H])CCc4cc(OC(=O)c5ccccc5)ccc24

InChI

1S/C25H28O3/c1-25-14-13-20-19-10-8-18(28-24(27)16-5-3-2-4-6-16)15-17(19)7-9-21(20)22(25)11-12-23(25)26/h2-6,8,10,15,20-23,26H,7,9,11-14H2,1H3/t20-,21-,22+,23+,25+/m1/s1

InChI key

UYIFTLBWAOGQBI-BZDYCCQFSA-N

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应用

Used in a study of general steroid metabolism and clearing, as groundwork for anabolic steroid screening in athletes.

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