Hydrocortisone(50-23-7) 1H NMR
Product NameHydrocortisone
CAS50-23-7
Molecular FormulaC21H30O5
Molecular Weight362.47
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/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/s3
InChIKey JYGXADMDTFJGBT-QXTQSSHNNA-N
SmilesC[C@]12C[C@H](O)[C@]3([H])[C@]4(CCC(=O)C=C4CC[C@@]3([H])[C@]1([H])CC[C@]2(O)C(=O)CO)C |&1:1,3,5,7,16,18,22,r|
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MassMS-NW-2367 hydrocortisone C21H30O5 (Mass of molecular ion: 362)
Source Temperature: 240 °C Sample Temperature: 200 °C Direct, 75 eV
14.0 3.6 15.0 3.7 17.0 7.8 18.0 35.3 26.0 2.0 27.0 20.3 28.0 25.3 29.0 57.3 30.0 39.7 31.0 32.3 32.0 7.9 39.0 26.1 40.0 5.6 41.0 65.4 42.0 13.2 43.0 46.7 44.0 3.6 45.0 4.8 50.0 1.1 51.0 7.5 52.0 4.7 53.0 27.9 54.0 3.9 55.0 46.1 56.0 4.0 57.0 12.8 58.0 2.2 60.0 15.5 63.0 3.2 64.0 1.9 65.0 15.9 66.0 6.6 67.0 33.2 68.0 6.2 69.0 16.8 70.0 4.0 71.0 8.6 72.0 1.8 73.0 3.2 74.0 1.0 75.0 1.0 76.0 1.2 77.0 40.4 78.0 10.9 79.0 49.5 80.0 10.0 81.0 27.8 82.0 5.9 83.0 13.7 84.0 3.8 85.0 5.1 86.0 2.9 87.0 2.0 89.0 2.0 90.0 1.3 91.0 59.7 92.0 12.0 92.5 1.5 93.0 36.3 94.0 14.0 95.0 32.2 96.0 10.4 97.0 29.5 98.0 3.9 99.0 6.2 100.0 2.2 101.0 1.5 102.0 1.6 103.0 7.4 104.0 5.3 105.0 48.8 106.0 16.4 106.5 1.1 107.0 36.0 108.0 15.2 109.0 38.4 110.0 16.4 111.0 11.2 112.0 2.4 113.0 2.1 114.0 1.2 115.0 10.9 116.0 5.2 117.0 17.4 118.0 9.9 119.0 47.5 120.0 19.1 121.0 46.5 122.0 43.2 123.0 100.0 124.0 74.2 125.0 16.4 126.0 3.7 127.0 4.6 128.0 9.1 129.0 14.8 130.0 7.2 131.0 26.3 132.0 11.1 133.0 26.7 134.0 17.4 135.0 22.9 136.0 24.1 137.0 39.1 138.0 11.3 139.0 4.2 140.0 1.7 141.0 7.2 142.0 6.7 143.0 20.2 144.0 13.3 145.0 29.4 146.0 13.1 147.0 31.3 148.0 21.6 149.0 20.6 150.0 7.5 151.0 4.4 152.0 3.5 153.0 3.2 154.0 2.1 155.0 8.2 156.0 5.2 157.0 15.4 158.0 9.0 159.0 20.4 160.0 15.3 161.0 29.2 162.0 17.5 163.0 90.7 164.0 17.6 165.0 6.3 166.0 3.4 167.0 3.6 168.0 2.4 169.0 7.1 170.0 4.7 171.0 13.7 172.0 11.2 173.0 22.6 174.0 14.5 175.0 17.9 176.0 9.2 177.0 6.1 178.0 4.4 179.0 4.0 180.0 2.4 181.0 4.5 182.0 3.0 183.0 7.9 184.0 6.3 185.0 14.7 186.0 9.9 187.0 13.0 188.0 10.5 189.0 28.1 190.0 8.2 191.0 9.2 192.0 4.5 193.0 3.8 194.0 1.9 195.0 5.0 196.0 3.0 197.0 7.5 198.0 6.7 199.0 16.4 200.0 12.0 201.0 8.5 202.0 6.8 203.0 5.3 204.0 2.9 205.0 3.7 206.0 2.2 207.0 3.8 208.0 3.4 209.0 10.2 210.0 3.6 211.0 8.5 212.0 5.7 213.0 20.5 214.0 11.8 215.0 8.8 216.0 3.9 217.0 4.7 218.0 2.0 219.0 2.0 220.0 1.2 221.0 2.2 222.0 2.3 223.0 6.0 224.0 5.2 225.0 15.1 226.0 6.2 227.0 45.9 228.0 15.2 229.0 9.5 230.0 3.8 231.0 3.4 232.0 2.6 233.0 2.4 234.0 1.2 235.0 2.5 236.0 1.5 237.0 2.9 238.0 2.8 239.0 5.9 240.0 10.5 241.0 13.7 242.0 36.5 243.0 13.6 244.0 3.8 245.0 7.7 246.0 3.6 247.0 2.5 248.0 1.5 249.0 2.4 250.0 1.6 251.0 5.4 252.0 2.3 253.0 5.5 254.0 3.5 255.0 4.0 256.0 7.4 257.0 6.4 258.0 7.9 259.0 5.7 260.0 19.4 261.0 8.4 262.0 2.2 263.0 2.6 264.0 1.1 265.0 2.4 266.0 4.1 267.0 7.8 268.0 4.9 269.0 17.4 270.0 7.2 271.0 4.7 272.0 2.6 273.0 2.5 274.0 5.2 275.0 2.4 276.0 1.1 278.0 1.9 279.0 1.7 280.0 1.1 281.0 5.9 282.0 2.0 283.0 3.7 284.0 10.9 285.0 14.0 286.0 6.8 287.0 3.9 288.0 2.8 289.0 1.1 290.0 1.5 295.0 1.7 296.0 6.1 297.0 4.4 298.0 2.2 299.0 12.6 300.0 3.5 301.0 1.4 302.0 23.4 303.0 7.3 304.0 2.1 311.0 1.9 312.0 3.2 313.0 3.1 314.0 19.1 315.0 8.0 316.0 2.3 326.0 1.1 329.0 1.8 330.0 4.0 332.0 34.3 333.0 7.7 334.0 1.4 344.0 3.6 362.0 2.9
KBr disc
nujol mull
4880 A,200 M,powder
