Dehydroepiandrosterone acetate(853-23-6) Raman
Product NameDehydroepiandrosterone acetate
CAS853-23-6
Molecular FormulaC21H30O3
Molecular Weight330.47
InChIInChI=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
SmilesC[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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MassMS2015-05303CW 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
in CDCl3
KBr disc
4880 A,200 M,powder
