17alpha-ethynylestradiol,化合物成分

17alpha-ethynylestradiol

public_id

FDB003598

IUPAC 名称

(1S,10R,11S,14R,15S)-14-ethynyl-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2(7),3,5-triene-5,14-diol

描述

A synthetic form of estradiol, called ethinyl estradiol is a major component of hormonal contraceptive devices. 17alpha-ethynylestradiol is found in many foods, some of which are common walnut, ginkgo nuts, allspice, and papaya.

CAS号

57-63-6

异构

[H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3

InChI标识符

InChI=1S/C20H24O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,5,7,12,16-18,21-22H,4,6,8-11H2,2H3/t16-,17-,18+,19+,20+/m1/s1

键

BFPYWIDHMRZLRN-SLHNCBLASA-N

平均分子量

296.177630012

id

3599

含有化合物的食物

食物id	食物名称
182	Cocoa bean
179	Cloves
27	Chinese mustard
50	Chinese cinnamon
332	Chervil
51	Ceylon cinnamon
245	Carrot
74	Cardamom
43	Caraway
17	Burdock
155	Blackcurrant
939	Black tea
166	Black elderberry
130	Avocado
59	Arabica coffee
144	Apricot
105	Apple
137	Anise
148	Almond
288	Allspice