醋酸去氫表雄酮(853-23-6)核磁圖(13CNMR)
InChI:InChI=1/C21H30O3/c1-13(22)24-15-8-10-20(2)14(12-15)4-5-16-17-6-7-19(23)21(17,3)11-9-18(16)20/h4,15-18H,5-12H2,1-3H3/t15-,16-,17-,18-,20-,21-/s3
InChIKey: NCMZQTLCXHGLOK-JJBWSQFHNA-N
Smiles:C[C@]12CC[C@H](OC(=O)C)CC1=CC[C@@]1([H])[C@]3([H])CCC(=O)[C@@]3(C)CC[C@]21[H] |&1:1,4,13,15,21,25,r|
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Mass
MS2015-05303CW
17-oxo-5-androsten-3beta-yl acetate
C21H30O3 (Mass of molecular ion: 330)
Source Temperature: 245 °C
Sample Temperature: 25 °C
Direct, 70 eV
41.0 3.9
43.0 10.1
53.0 1.6
55.0 3.8
65.0 1.1
67.0 4.6
69.0 1.2
77.0 3.4
78.0 1.0
79.0 7.1
80.0 1.1
81.0 5.2
91.0 9.7
92.0 2.7
93.0 9.8
94.0 2.4
95.0 3.2
97.0 4.8
98.0 1.1
105.0 10.5
106.0 4.9
107.0 14.0
108.0 5.2
109.0 2.6
115.0 1.6
117.0 4.2
118.0 2.4
119.0 6.4
120.0 6.1
121.0 35.8
122.0 5.3
123.0 1.7
128.0 1.8
129.0 3.2
130.0 1.5
131.0 5.6
132.0 1.8
133.0 4.3
134.0 2.0
135.0 2.2
136.0 1.4
137.0 1.0
141.0 1.5
142.0 1.2
143.0 6.3
144.0 2.0
145.0 8.8
146.0 3.0
147.0 5.4
148.0 3.3
149.0 4.3
150.0 5.3
151.0 1.0
155.0 1.3
157.0 4.0
158.0 2.2
159.0 6.0
160.0 2.1
161.0 2.3
162.0 1.3
163.0 1.6
169.0 1.2
171.0 3.9
172.0 2.9
173.0 2.9
174.0 2.2
175.0 1.0
181.0 1.0
183.0 1.2
185.0 3.4
186.0 1.3
187.0 1.1
195.0 1.1
197.0 1.6
199.0 7.2
200.0 2.0
201.0 2.1
211.0 1.9
212.0 1.1
213.0 7.6
214.0 5.0
215.0 1.7
216.0 1.3
226.0 1.5
227.0 4.7
228.0 3.5
229.0 1.2
237.0 5.3
238.0 1.1
241.0 1.8
242.0 5.0
243.0 1.0
252.0 1.1
255.0 22.3
256.0 4.4
270.0 100.0
271.0 20.7
272.0 2.4