Hydrocortisone acetate(50-03-3) IR2
Product NameHydrocortisone acetate
CAS50-03-3
Molecular FormulaC23H32O6
Molecular Weight404.5
InChIInChI=1/C23H32O6/c1-13(24)29-12-19(27)23(28)9-7-17-16-5-4-14-10-15(25)6-8-21(14,2)20(16)18(26)11-22(17,23)3/h10,16-18,20,26,28H,4-9,11-12H2,1-3H3/t16-,17-,18-,20+,21-,22-,23-/s3
InChIKey ALEXXDVDDISNDU-HEJVTJMQNA-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)COC(=O)C)C |&1:1,3,5,7,16,18,22,r|
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MassMS-NW-2340 cortisol acetate C23H32O6 (Mass of molecular ion: 404)
Source Temperature: 250 °C Sample Temperature: 180 °C Direct, 75 eV
14.0 3.6 15.0 6.4 17.0 3.9 18.0 18.5 27.0 6.5 28.0 10.1 29.0 12.8 30.0 9.2 31.0 3.4 39.0 8.8 40.0 2.2 41.0 25.0 42.0 9.6 43.0 100.0 44.0 2.9 45.0 8.1 51.0 2.7 52.0 1.7 53.0 10.2 54.0 1.7 55.0 19.5 56.0 1.8 57.0 4.8 60.0 6.9 63.0 1.1 65.0 6.2 66.0 2.6 67.0 13.4 68.0 2.7 69.0 7.9 70.0 2.4 71.0 3.7 73.0 3.0 74.0 1.4 77.0 15.8 78.0 4.4 79.0 20.6 80.0 3.8 81.0 12.9 82.0 2.5 83.0 6.5 84.0 1.7 85.0 2.2 87.0 3.1 89.0 1.0 91.0 25.5 92.0 4.6 93.0 16.0 94.0 5.3 95.0 14.7 96.0 4.3 97.0 11.3 98.0 1.9 99.0 2.7 101.0 1.6 102.0 1.1 103.0 3.9 104.0 2.2 105.0 21.7 106.0 6.8 107.0 16.2 108.0 6.5 109.0 15.5 110.0 6.6 111.0 5.9 112.0 1.2 113.0 1.0 115.0 5.6 116.0 3.0 117.0 8.4 118.0 4.4 119.0 21.6 120.0 7.8 121.0 23.0 122.0 21.0 123.0 38.5 124.0 30.5 125.0 7.7 126.0 1.5 127.0 2.3 128.0 4.5 129.0 8.1 130.0 3.6 131.0 12.9 132.0 5.3 133.0 13.7 134.0 8.1 135.0 11.1 136.0 15.1 137.0 17.5 138.0 5.5 139.0 2.1 141.0 3.9 142.0 3.5 143.0 10.4 144.0 5.8 145.0 12.9 146.0 6.0 147.0 14.5 148.0 11.2 149.0 10.6 150.0 3.5 151.0 2.3 152.0 2.1 153.0 2.2 154.0 1.3 155.0 5.5 156.0 4.2 157.0 9.0 158.0 4.6 159.0 11.6 160.0 6.9 161.0 15.9 162.0 8.2 163.0 20.3 164.0 4.0 165.0 2.9 166.0 1.7 167.0 2.2 168.0 1.5 169.0 5.2 170.0 3.0 171.0 7.5 172.0 5.9 173.0 11.7 174.0 8.0 175.0 9.2 176.0 4.5 177.0 3.9 178.0 1.9 179.0 2.2 180.0 1.0 181.0 2.6 182.0 1.8 183.0 4.9 184.0 3.6 185.0 7.9 186.0 5.0 187.0 7.8 188.0 5.0 189.0 7.6 190.0 3.1 191.0 4.2 192.0 2.5 193.0 2.5 194.0 1.3 195.0 3.0 196.0 1.9 197.0 5.2 198.0 4.7 199.0 7.3 200.0 4.5 201.0 4.1 202.0 3.1 203.0 4.4 204.0 2.5 205.0 2.5 206.0 1.3 207.0 3.0 208.0 1.6 209.0 5.5 210.0 2.3 211.0 6.5 212.0 4.1 213.0 7.4 214.0 4.4 215.0 6.1 216.0 2.4 217.0 2.1 218.0 1.0 219.0 1.2 221.0 2.0 222.0 2.1 223.0 4.1 224.0 2.7 225.0 14.7 226.0 4.5 227.0 19.2 228.0 6.5 229.0 6.3 230.0 3.1 231.0 2.1 232.0 1.3 233.0 1.3 234.0 1.0 235.0 1.8 236.0 1.1 237.0 2.4 238.0 2.5 239.0 5.2 240.0 16.5 241.0 9.6 242.0 11.9 243.0 6.3 244.0 2.1 245.0 3.0 246.0 1.6 247.0 2.5 248.0 1.1 249.0 1.9 250.0 1.6 251.0 3.0 252.0 1.9 253.0 4.6 254.0 2.3 255.0 3.7 256.0 4.5 257.0 3.0 258.0 4.3 259.0 2.5 260.0 3.7 261.0 2.6 262.0 1.1 263.0 1.7 265.0 3.8 266.0 2.4 267.0 7.6 268.0 4.2 269.0 3.6 270.0 2.5 271.0 2.6 272.0 1.5 273.0 2.0 274.0 11.6 275.0 3.1 276.0 1.7 277.0 1.1 278.0 2.1 279.0 1.6 280.0 2.1 281.0 3.2 282.0 2.0 283.0 5.0 284.0 3.5 285.0 13.8 286.0 4.8 287.0 1.5 288.0 1.9 290.0 1.0 293.0 3.1 294.0 1.4 295.0 2.7 296.0 4.1 297.0 2.2 298.0 4.7 299.0 3.9 300.0 1.5 301.0 2.3 302.0 2.6 303.0 4.2 304.0 1.4 308.0 3.5 309.0 1.3 310.0 2.4 311.0 6.6 312.0 2.4 313.0 2.1 314.0 4.9 315.0 2.1 316.0 3.2 317.0 1.0 326.0 9.1 327.0 2.6 328.0 3.0 329.0 2.9 330.0 1.5 332.0 6.2 333.0 1.6 344.0 7.0 345.0 2.0 356.0 2.2 374.0 3.4 404.0 3.6
KBr disc
nujol mull
