己酸孕酮(630-56-8)核磁圖(1HNMR)
InChI:InChI=1S/C27H40O4/c1-5-6-7-8-24(30)31-27(18(2)28)16-13-23-21-10-9-19-17-20(29)11-14-25(19,3)22(21)12-15-26(23,27)4/h17,21-23H,5-16H2,1-4H3/t21-,22+,23+,25+,26+,27+/m1/s1
InChIKey: DOMWKUIIPQCAJU-LJHIYBGHSA-N
Smiles:C1(=O)C=C2[C@](C)(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)[C@@](OC(=O)CCCCC)(C(=O)C)CC3)CC2
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Mass
MS-IW-8086
3,20-dioxo-4-pregnen-17-yl hexanoate
C27H40O4 (Mass of molecular ion: 428)
Source Temperature: 190 °C
Sample Temperature: 170 °C
Direct, 75 eV
18.0 2.1
29.0 1.4
41.0 3.2
43.0 18.0
55.0 4.8
60.0 2.0
67.0 1.9
69.0 1.1
71.0 14.0
73.0 1.0
77.0 1.8
79.0 2.8
81.0 1.9
83.0 1.1
91.0 3.7
93.0 3.1
95.0 2.6
97.0 7.9
98.0 1.3
99.0 43.3
100.0 2.9
105.0 3.1
107.0 2.9
109.0 5.0
117.0 1.3
119.0 2.2
121.0 2.6
122.0 1.4
123.0 2.8
124.0 3.1
129.0 1.1
131.0 1.8
133.0 2.3
135.0 1.6
136.0 1.4
137.0 1.0
143.0 1.4
145.0 4.0
146.0 1.0
147.0 3.2
148.0 1.3
149.0 1.5
157.0 1.1
159.0 1.7
161.0 1.6
171.0 1.9
173.0 2.5
174.0 1.1
175.0 1.6
187.0 1.1
189.0 1.5
211.0 1.4
227.0 1.6
229.0 4.2
242.0 1.2
244.0 3.0
251.0 1.7
269.0 26.6
270.0 6.5
271.0 2.1
287.0 100.0
288.0 20.9
289.0 2.5
294.0 1.6
297.0 1.6
312.0 10.5
313.0 4.9
314.0 1.2
330.0 11.1
331.0 2.6
385.0 12.5
386.0 3.4
429.0 1.3