16,17-环氧黄体酮(1097-51-4)核磁图(13CNMR)
InChI:InChI=1S/C21H28O3/c1-12(22)21-18(24-21)11-17-15-5-4-13-10-14(23)6-8-19(13,2)16(15)7-9-20(17,21)3/h10,15-18H,4-9,11H2,1-3H3/t15-,16+,17+,18-,19+,20+,21-/m1/s1
InChIKey: LHNVKVKZPHUYQO-SRWWVFQWSA-N
Smiles:[C@]12([C@@]3(O[C@@H]3C[C@@]1([H])[C@]1([H])CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])CC2)C(C)=O)C
-
Mass
MS-NW-2407
16alpha,17-epoxyprogesterone
C21H28O3 (Mass of molecular ion: 328)
Source Temperature: 250 °C
Sample Temperature: 180 °C
Direct, 75 eV
14.0 1.8
15.0 4.4
17.0 4.6
18.0 23.2
26.0 1.0
27.0 10.6
28.0 5.2
29.0 7.7
39.0 14.8
40.0 3.0
41.0 27.2
42.0 3.8
43.0 100.0
44.0 3.2
45.0 1.1
50.0 1.5
51.0 5.9
52.0 3.2
53.0 15.0
54.0 2.2
55.0 19.4
56.0 1.0
57.0 2.2
63.0 3.1
64.0 1.2
65.0 9.9
66.0 4.2
67.0 15.1
68.0 1.7
69.0 4.5
71.0 1.9
76.0 1.5
77.0 22.5
78.0 6.7
79.0 27.4
80.0 5.8
81.0 15.1
82.0 2.7
83.0 5.1
85.0 2.7
89.0 2.4
90.0 1.1
91.0 35.5
92.0 6.3
93.0 20.2
94.0 5.9
95.0 14.3
96.0 4.7
97.0 7.5
98.0 1.5
99.0 1.6
100.0 1.3
101.0 2.6
102.0 1.8
103.0 4.7
104.0 3.0
105.0 25.5
106.0 8.0
107.0 21.2
108.0 7.0
109.0 20.7
110.0 5.7
111.0 5.3
112.0 1.2
113.0 1.4
114.0 1.2
115.0 10.7
116.0 4.3
117.0 12.2
118.0 4.9
119.0 17.2
120.0 6.8
121.0 17.3
122.0 18.7
123.0 25.9
124.0 25.6
125.0 4.7
126.0 1.6
127.0 4.0
128.0 9.8
129.0 13.7
130.0 5.6
131.0 18.4
132.0 6.5
133.0 16.3
134.0 8.8
135.0 16.0
136.0 8.8
137.0 11.3
138.0 4.6
139.0 2.3
140.0 1.0
141.0 7.6
142.0 6.2
143.0 27.6
144.0 20.3
145.0 30.0
146.0 16.0
147.0 18.4
148.0 7.0
149.0 9.6
150.0 3.8
151.0 5.8
152.0 6.2
153.0 5.3
154.0 2.5
155.0 7.3
156.0 4.5
157.0 11.1
158.0 8.0
159.0 15.0
160.0 9.4
161.0 19.2
162.0 11.0
163.0 13.7
164.0 3.2
165.0 5.7
166.0 2.6
167.0 4.1
168.0 2.9
169.0 10.8
170.0 5.3
171.0 10.7
172.0 5.6
173.0 11.1
174.0 6.8
175.0 9.5
176.0 5.0
177.0 4.5
178.0 3.6
179.0 3.9
180.0 2.1
181.0 4.1
182.0 2.3
183.0 7.2
184.0 4.0
185.0 6.9
186.0 5.8
187.0 12.3
188.0 5.8
189.0 9.9
190.0 2.9
191.0 4.3
192.0 2.5
193.0 3.6
194.0 2.1
195.0 4.2
196.0 2.6
197.0 5.5
198.0 3.1
199.0 4.3
200.0 3.1
201.0 4.5
202.0 4.9
203.0 3.6
204.0 2.3
205.0 4.2
206.0 2.3
207.0 3.5
208.0 2.3
209.0 4.9
210.0 3.3
211.0 5.8
212.0 3.4
213.0 4.0
214.0 2.5
215.0 5.0
216.0 2.5
217.0 2.4
218.0 1.5
219.0 2.2
220.0 1.7
221.0 2.5
222.0 2.2
223.0 3.1
224.0 2.7
225.0 9.7
226.0 7.0
227.0 5.6
228.0 3.8
229.0 4.4
230.0 3.1
231.0 2.7
232.0 1.9
233.0 3.0
234.0 2.0
235.0 3.7
236.0 1.7
237.0 2.1
238.0 1.3
239.0 5.5
240.0 2.7
241.0 3.2
242.0 3.3
243.0 18.1
244.0 6.2
245.0 2.4
246.0 2.7
247.0 2.5
248.0 2.8
249.0 5.8
250.0 4.2
251.0 4.2
252.0 2.4
253.0 7.0
254.0 2.3
255.0 2.3
256.0 2.3
257.0 4.4
258.0 2.4
259.0 2.2
260.0 1.7
261.0 1.7
262.0 1.7
263.0 1.4
264.0 2.0
265.0 2.1
266.0 3.4
267.0 18.4
268.0 20.5
269.0 11.3
270.0 5.3
271.0 3.4
272.0 3.0
273.0 1.2
274.0 2.8
275.0 1.5
276.0 2.1
277.0 2.1
278.0 1.2
279.0 1.4
280.0 1.0
281.0 3.2
282.0 4.1
283.0 2.4
284.0 10.9
285.0 19.7
286.0 12.6
287.0 2.4
290.0 1.3
292.0 3.2
293.0 1.3
294.0 2.0
295.0 3.0
296.0 1.1
297.0 3.0
298.0 1.3
299.0 1.2
300.0 1.6
310.0 6.9
311.0 2.0
312.0 4.9
313.0 3.0
328.0 18.7
329.0 4.5
342.0 1.0