5-ALPHA-DIHYDROCORTISONE(1482-51-5) IR1
Product Name5-ALPHA-DIHYDROCORTISONE
CAS1482-51-5
Molecular FormulaC21H30O5
Molecular Weight362.46
InChIInChI=1/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h12,14-15,18,22,26H,3-11H2,1-2H3/t12-,14-,15-,18+,19-,20-,21-/s3
InChIKey YCLWEYIBFOLMEM-QMXQDOMGNA-N
Smiles[C@@]12([H])CC[C@](O)(C(=O)CO)[C@@]1(C)CC(=O)[C@]1([H])[C@@]3(C)CCC(=O)C[C@]3([H])CC[C@@]21[H] |&1:0,4,10,15,17,24,28,r|
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MassMS-NW-6983 17alpha,21-dihydroxy-5alpha-pregnane-3,11,20-trione C21H30O5 (Mass of molecular ion: 362)
Source Temperature: 210 °C Sample Temperature: 230 °C Direct, 75 eV
14.0 1.2 15.0 1.5 17.0 1.2 18.0 4.9 27.0 11.2 28.0 7.0 29.0 22.5 30.0 13.3 31.0 17.6 32.0 2.1 39.0 14.3 40.0 4.4 41.0 54.6 42.0 10.0 43.0 34.2 44.0 1.3 45.0 2.2 51.0 3.1 52.0 2.0 53.0 20.5 54.0 4.3 55.0 45.0 56.0 3.5 57.0 7.3 58.0 1.3 60.0 8.5 65.0 9.5 66.0 4.3 67.0 35.3 68.0 12.8 69.0 19.4 70.0 2.5 71.0 5.2 73.0 1.7 77.0 21.0 78.0 4.9 79.0 37.3 80.0 7.4 81.0 33.4 82.0 8.6 83.0 9.9 84.0 3.2 85.0 2.9 86.0 2.1 87.0 1.8 91.0 28.8 92.0 6.0 93.0 34.1 94.0 10.6 95.0 28.1 96.0 10.3 97.0 21.3 98.0 3.7 99.0 3.6 100.0 1.0 101.0 1.0 103.0 4.6 104.0 3.4 105.0 22.5 106.0 7.1 107.0 29.4 108.0 9.8 109.0 30.8 110.0 16.8 111.0 12.3 112.0 2.1 113.0 1.6 115.0 3.4 116.0 2.3 117.0 6.0 118.0 3.0 119.0 15.2 120.0 6.5 121.0 31.5 122.0 23.8 123.0 22.3 124.0 41.5 125.0 16.5 126.0 2.7 127.0 1.7 128.0 2.1 129.0 3.6 130.0 1.8 131.0 8.1 132.0 3.0 133.0 11.4 134.0 6.7 135.0 20.4 136.0 19.2 137.0 17.0 138.0 7.3 139.0 6.0 140.0 2.2 141.0 1.9 142.0 1.2 143.0 4.2 144.0 2.2 145.0 12.6 146.0 4.1 147.0 14.1 148.0 6.1 149.0 17.7 150.0 6.9 151.0 5.7 152.0 2.1 153.0 1.7 155.0 1.7 157.0 4.7 158.0 2.2 159.0 8.0 160.0 4.2 161.0 12.0 162.0 5.8 163.0 19.7 164.0 4.5 165.0 7.2 166.0 2.1 167.0 6.8 168.0 1.2 169.0 2.2 170.0 1.1 171.0 4.4 172.0 2.9 173.0 7.8 174.0 3.4 175.0 8.2 176.0 3.5 177.0 4.3 178.0 3.3 179.0 5.0 180.0 3.2 181.0 1.9 183.0 2.1 184.0 1.5 185.0 4.6 186.0 2.2 187.0 5.1 188.0 3.7 189.0 6.1 190.0 3.0 191.0 14.0 192.0 4.6 193.0 3.4 194.0 1.0 195.0 2.0 197.0 2.3 199.0 4.4 200.0 2.2 201.0 4.0 202.0 2.8 203.0 4.9 204.0 2.9 205.0 2.4 206.0 1.5 207.0 1.5 208.0 1.2 209.0 2.6 211.0 2.1 212.0 1.0 213.0 3.9 214.0 1.5 215.0 4.0 216.0 2.0 217.0 3.8 218.0 3.3 219.0 2.0 220.0 1.1 221.0 1.7 223.0 1.6 225.0 2.7 226.0 1.1 227.0 6.6 228.0 2.3 229.0 4.5 230.0 2.4 231.0 6.3 232.0 3.8 233.0 4.0 234.0 1.1 235.0 1.1 239.0 1.8 240.0 2.4 241.0 5.4 242.0 2.9 243.0 6.7 244.0 3.9 245.0 14.8 246.0 28.5 247.0 6.8 248.0 1.8 249.0 1.1 251.0 1.0 253.0 1.0 255.0 1.5 256.0 2.5 257.0 18.8 258.0 11.7 259.0 100.0 260.0 28.9 261.0 8.2 262.0 1.8 265.0 1.1 267.0 2.8 268.0 1.3 269.0 2.7 270.0 2.0 271.0 2.4 272.0 1.2 273.0 1.7 274.0 7.9 275.0 3.8 276.0 1.5 281.0 1.0 283.0 2.9 284.0 3.2 285.0 7.7 286.0 4.1 287.0 6.0 288.0 4.8 289.0 2.6 296.0 1.3 299.0 2.2 301.0 3.2 302.0 34.5 303.0 34.7 304.0 9.9 305.0 2.1 313.0 1.6 314.0 4.2 315.0 12.6 316.0 4.9 317.0 6.7 318.0 1.5 326.0 1.1 329.0 2.0 330.0 4.9 331.0 1.4 332.0 46.4 333.0 10.9 334.0 2.7 344.0 6.5 345.0 1.7 347.0 1.0 362.0 28.9 363.0 7.3 364.0 1.4
KBr disc
nujol mull
