Dehydroepiandrosterone(53-43-0) IR3
Product NameDehydroepiandrosterone
CAS53-43-0
Molecular FormulaC19H28O2
Molecular Weight288.43
InChIInChI=1/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h3,13-16,20H,4-11H2,1-2H3/t13-,14-,15-,16-,18-,19-/s3
InChIKey FMGSKLZLMKYGDP-XEZBUBAUNA-N
Smiles[C@@]12([H])CC=C3C[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)C(CC[C@@]21[H])=O |&1:0,6,10,12,16,21,r|
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MassMS-NW-2331 3beta-hydroxy-5-androsten-17-one C19H28O2 (Mass of molecular ion: 288)
Source Temperature: 200 °C Sample Temperature: 130 °C Direct, 75 eV
17.0 1.6 18.0 7.8 27.0 9.3 28.0 2.9 29.0 12.4 31.0 2.3 39.0 12.0 40.0 2.5 41.0 36.3 42.0 2.1 43.0 9.0 44.0 1.3 51.0 3.6 52.0 1.9 53.0 14.1 54.0 2.2 55.0 26.1 56.0 1.6 57.0 8.9 63.0 1.5 65.0 9.0 66.0 3.2 67.0 23.9 68.0 3.4 69.0 7.0 71.0 2.0 77.0 20.1 78.0 6.4 79.0 34.7 80.0 6.2 81.0 25.3 82.0 3.5 83.0 6.3 84.0 1.6 85.0 2.0 91.0 42.9 92.0 11.6 93.0 38.1 94.0 13.2 95.0 17.7 96.0 3.9 97.0 34.2 98.0 4.3 99.0 1.1 103.0 4.3 104.0 3.4 105.0 41.8 106.0 15.4 107.0 49.7 108.0 12.0 109.0 10.6 110.0 5.3 111.0 4.8 114.0 1.0 115.0 7.3 116.0 3.2 117.0 13.8 118.0 7.8 119.0 27.0 120.0 23.7 121.0 32.5 122.0 9.0 123.0 9.7 124.0 8.2 125.0 9.5 126.0 1.0 127.0 1.7 128.0 6.1 129.0 9.5 130.0 4.9 131.0 19.8 132.0 8.5 133.0 19.2 134.0 9.1 135.0 14.7 136.0 5.6 137.0 5.4 138.0 2.6 141.0 4.8 142.0 3.1 143.0 17.9 144.0 6.9 145.0 30.6 146.0 10.3 147.0 11.8 148.0 13.1 149.0 12.7 150.0 6.7 151.0 4.0 152.0 1.2 153.0 1.1 155.0 3.5 156.0 2.1 157.0 12.0 158.0 7.5 159.0 26.3 160.0 8.0 161.0 10.2 162.0 4.7 163.0 5.4 164.0 3.8 165.0 1.8 167.0 1.2 169.0 3.6 170.0 2.3 171.0 10.1 172.0 7.4 173.0 12.4 174.0 13.4 175.0 8.1 176.0 20.2 177.0 39.3 178.0 8.9 179.0 2.6 181.0 2.2 183.0 3.9 184.0 1.7 185.0 11.1 186.0 4.4 187.0 6.5 188.0 4.2 189.0 4.5 190.0 3.5 191.0 1.1 195.0 3.7 196.0 1.2 197.0 5.0 198.0 2.0 199.0 11.4 200.0 4.0 201.0 6.1 202.0 8.5 203.0 47.7 204.0 8.8 205.0 2.1 209.0 1.6 211.0 6.6 212.0 3.6 213.0 21.5 214.0 9.6 215.0 6.1 216.0 5.2 217.0 3.2 218.0 1.7 219.0 1.0 226.0 2.1 227.0 9.2 228.0 10.5 229.0 8.8 230.0 4.6 231.0 15.1 232.0 3.6 233.0 1.6 237.0 12.4 238.0 2.5 239.0 1.7 241.0 4.6 242.0 11.4 243.0 2.8 244.0 8.8 245.0 5.0 246.0 1.8 252.0 2.3 253.0 1.7 254.0 1.4 255.0 68.6 256.0 13.7 257.0 2.6 260.0 3.5 269.0 1.5 270.0 68.2 271.0 14.4 272.0 4.4 273.0 9.2 274.0 1.9 286.0 5.7 287.0 1.9 288.0 100.0 289.0 20.5 290.0 3.3
90 MHz in CDCl3
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1H NMR 89.56 MHz C19 H28 O2 0.044 g : 0.5 ml CDCl3 3beta-hydroxy-5-androsten-17-one 
Assign. Shift(ppm)
A 5.38 B 3.52 C 1.94 D 2.68 to 0.73 E 1.038 F 0.889
Hz ppm Int.479.63 5.356 67 310.94 3.472 31 209.00 2.334 132 208.31 2.326 128 207.81 2.321 128 174.00 1.943 314 171.00 1.910 157 169.63 1.895 135 162.56 1.816 154 161.31 1.802 167 158.25 1.767 176 153.19 1.711 129 152.19 1.700 139 149.63 1.671 144 147.88 1.652 117 141.25 1.578 147 140.81 1.573 145 137.94 1.541 150 127.75 1.427 128 119.06 1.330 123 93.00 1.039 915 79.63 0.890 1000
in CDCl3
CCl4 solution
KBr disc
nujol mull
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