Oxymetholone(434-07-1) IR2
Product NameOxymetholone
CAS434-07-1
Molecular FormulaC21H32O3
Molecular Weight332.48
InChIInChI=1/C21H32O3/c1-19-11-13(12-22)18(23)10-14(19)4-5-15-16(19)6-8-20(2)17(15)7-9-21(20,3)24/h12,14-17,22,24H,4-11H2,1-3H3/b13-12+/t14-,15+,16-,17-,19-,20-,21-/s3
InChIKey ICMWWNHDUZJFDW-OPBQNMMKNA-N
Smiles[C@]12([H])CC[C@]3(C)[C@](CC[C@@]3([H])[C@]1([H])CC[C@@]1([H])CC(=O)/C(=C/O)/C[C@]21C)(O)C |&1:0,4,6,9,11,15,24,r|
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MassMS2006-03095WA 17beta-hydroxy-2-hydroxymethylene-17alpha-methyl-5alpha-androstan-3-one C21H32O3 (Mass of molecular ion: 332)
Source Temperature: 250 °C Sample Temperature: 20 °C Direct, 70 eV
17.0 1.4 18.0 6.1 27.0 2.5 29.0 4.8 39.0 3.4 40.0 1.0 41.0 17.9 42.0 1.3 43.0 39.5 44.0 1.1 45.0 1.4 53.0 7.5 54.0 1.6 55.0 18.8 56.0 4.7 57.0 5.3 58.0 4.6 59.0 1.6 65.0 4.0 66.0 1.7 67.0 19.0 68.0 3.9 69.0 9.4 70.0 2.1 71.0 24.5 72.0 5.7 77.0 11.7 78.0 2.5 79.0 21.8 80.0 5.0 81.0 25.4 82.0 3.1 83.0 6.3 84.0 2.8 85.0 6.8 91.0 23.4 92.0 4.6 93.0 23.5 94.0 6.5 95.0 20.1 96.0 2.5 97.0 3.6 98.0 1.5 99.0 2.3 100.0 6.0 101.0 1.4 103.0 1.9 104.0 1.4 105.0 22.5 106.0 10.4 107.0 24.4 108.0 17.1 109.0 18.5 110.0 2.6 111.0 4.6 115.0 2.4 116.0 2.2 117.0 4.7 118.0 4.3 119.0 14.5 120.0 8.0 121.0 17.8 122.0 6.7 123.0 14.7 124.0 3.0 125.0 4.2 128.0 1.8 129.0 2.7 130.0 1.3 131.0 6.7 132.0 2.8 133.0 11.7 134.0 10.2 135.0 11.2 136.0 6.5 137.0 13.8 138.0 3.9 139.0 6.5 141.0 1.4 142.0 1.1 143.0 3.2 144.0 1.5 145.0 11.1 146.0 4.0 147.0 20.2 148.0 7.9 149.0 9.3 150.0 20.0 151.0 9.9 152.0 6.5 153.0 2.6 155.0 1.1 157.0 4.7 158.0 3.2 159.0 23.8 160.0 10.5 161.0 35.4 162.0 19.7 163.0 23.6 164.0 6.4 165.0 3.4 166.0 1.3 169.0 1.3 171.0 2.9 172.0 11.2 173.0 8.8 174.0 64.2 175.0 27.6 176.0 58.0 177.0 11.8 178.0 2.1 179.0 2.4 183.0 1.3 185.0 2.5 186.0 2.1 187.0 5.5 188.0 3.6 189.0 4.3 190.0 4.6 191.0 5.2 192.0 1.3 193.0 1.2 197.0 1.5 199.0 7.5 200.0 2.3 201.0 9.7 202.0 2.4 203.0 2.1 204.0 1.1 205.0 2.6 206.0 4.6 207.0 1.3 211.0 1.2 212.0 1.5 213.0 4.1 214.0 23.9 215.0 25.4 216.0 40.2 217.0 10.4 218.0 2.1 219.0 2.1 225.0 2.8 226.0 1.1 227.0 2.8 228.0 2.5 229.0 2.9 230.0 2.3 231.0 3.1 232.0 12.3 233.0 5.8 234.0 21.6 235.0 3.9 238.0 2.2 239.0 1.6 241.0 3.3 243.0 6.7 244.0 3.1 245.0 3.6 246.0 3.2 247.0 2.3 248.0 1.6 256.0 7.1 257.0 5.4 258.0 3.1 259.0 14.6 260.0 3.6 261.0 22.5 262.0 10.9 263.0 2.2 271.0 1.2 272.0 8.3 273.0 2.3 274.0 66.1 275.0 63.5 276.0 11.5 277.0 1.4 281.0 2.0 285.0 1.2 286.0 1.0 289.0 1.0 296.0 2.6 299.0 13.7 300.0 3.1 303.0 1.3 304.0 8.0 305.0 1.7 314.0 15.7 315.0 4.2 316.0 1.0 317.0 5.4 318.0 1.2 332.0 100.0 333.0 23.8 334.0 3.3
in CDCl3
in CDCl3
KBr disc
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