3alpha,7alpha-dihydroxy-12-oxo-5beta-cholan-24-oic acid(2458-08-4) 13C NMR
Product Name3alpha,7alpha-dihydroxy-12-oxo-5beta-cholan-24-oic acid
CAS2458-08-4
Molecular FormulaC24H38O5
Molecular Weight406.56
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MassMS-IW-8195 3alpha,7alpha-dihydroxy-12-oxo-5beta-cholan-24-oic acid C24H38O5 (Mass of molecular ion: 406)
Source Temperature: 190 °C Sample Temperature: 210 °C Direct, 75 eV
17.0 3.1 18.0 15.0 27.0 2.8 28.0 11.1 29.0 5.6 39.0 4.8 40.0 1.0 41.0 16.6 42.0 1.8 43.0 13.9 44.0 3.8 45.0 1.6 51.0 1.7 53.0 6.4 54.0 2.4 55.0 26.3 56.0 1.9 57.0 4.5 59.0 2.5 60.0 1.2 63.0 1.1 65.0 4.3 66.0 1.7 67.0 19.6 68.0 3.7 69.0 9.5 70.0 2.0 71.0 2.9 76.0 1.0 77.0 12.5 78.0 3.0 79.0 25.1 80.0 5.7 81.0 31.6 82.0 5.8 83.0 11.5 84.0 1.5 85.0 3.9 89.0 2.0 91.0 27.5 92.0 5.5 93.0 27.7 94.0 12.6 95.0 26.6 96.0 4.9 97.0 4.9 98.0 1.4 99.0 3.1 101.0 5.6 102.0 1.7 103.0 2.9 104.0 2.1 105.0 26.2 106.0 7.4 107.0 25.0 108.0 9.0 109.0 22.8 110.0 5.1 111.0 4.0 112.0 1.0 113.0 1.7 114.0 1.7 115.0 7.1 116.0 3.1 117.0 9.6 118.0 4.1 119.0 17.3 120.0 7.1 121.0 40.0 122.0 8.9 123.0 15.2 124.0 5.2 125.0 4.6 126.0 1.8 127.0 4.6 128.0 7.5 129.0 10.3 130.0 4.6 131.0 16.7 132.0 4.6 133.0 14.5 134.0 6.5 135.0 22.5 136.0 7.9 137.0 9.3 138.0 3.7 139.0 3.1 140.0 15.6 141.0 9.2 142.0 6.2 143.0 15.9 144.0 7.5 145.0 24.8 146.0 8.2 147.0 32.3 148.0 8.7 149.0 11.7 150.0 3.1 151.0 3.3 152.0 3.3 153.0 4.6 154.0 2.5 155.0 8.2 156.0 4.9 157.0 13.9 158.0 7.1 159.0 22.9 160.0 12.0 161.0 21.1 162.0 6.7 163.0 9.4 164.0 2.6 165.0 8.2 166.0 3.4 167.0 5.0 168.0 3.2 169.0 10.4 170.0 4.7 171.0 12.8 172.0 5.1 173.0 17.3 174.0 6.0 175.0 8.2 176.0 2.6 177.0 2.6 178.0 4.6 179.0 5.7 180.0 3.3 181.0 11.6 182.0 4.7 183.0 11.6 184.0 4.9 185.0 14.7 186.0 5.6 187.0 16.0 188.0 5.4 189.0 6.0 190.0 3.6 191.0 9.7 192.0 3.9 193.0 6.0 194.0 3.9 195.0 9.8 196.0 5.6 197.0 12.2 198.0 5.8 199.0 12.1 200.0 5.8 201.0 11.6 202.0 5.4 203.0 5.6 204.0 2.4 205.0 4.6 206.0 3.1 207.0 5.2 208.0 9.0 209.0 20.0 210.0 6.2 211.0 10.0 212.0 6.0 213.0 11.1 214.0 5.5 215.0 12.0 216.0 4.8 217.0 4.2 218.0 2.3 219.0 3.6 220.0 2.4 221.0 3.9 222.0 2.7 223.0 5.4 224.0 4.2 225.0 8.2 226.0 5.4 227.0 21.9 228.0 9.2 229.0 100.0 230.0 24.3 231.0 8.3 232.0 3.5 233.0 6.1 234.0 3.0 235.0 5.0 236.0 2.8 237.0 5.9 238.0 3.7 239.0 5.2 240.0 2.8 241.0 7.4 242.0 8.8 243.0 30.6 244.0 11.4 245.0 14.8 246.0 6.0 247.0 41.5 248.0 12.5 249.0 6.0 250.0 5.4 251.0 23.1 252.0 9.5 253.0 6.1 254.0 4.3 255.0 11.1 256.0 9.8 257.0 4.7 258.0 4.0 259.0 4.4 260.0 5.0 261.0 11.1 262.0 7.6 263.0 13.7 264.0 4.9 265.0 36.2 266.0 8.0 267.0 4.3 268.0 2.3 269.0 35.2 270.0 9.6 271.0 3.9 272.0 1.9 273.0 7.4 274.0 6.1 275.0 3.9 276.0 6.1 277.0 4.7 278.0 5.3 279.0 7.8 280.0 4.9 281.0 3.3 282.0 2.2 283.0 2.7 284.0 1.6 285.0 2.4 286.0 1.8 287.0 10.4 288.0 5.5 289.0 4.0 290.0 2.7 291.0 7.2 292.0 3.3 293.0 16.6 294.0 4.9 295.0 3.5 296.0 3.3 297.0 6.9 298.0 7.5 299.0 3.8 300.0 2.3 301.0 3.8 302.0 3.8 303.0 2.8 304.0 4.6 305.0 11.7 306.0 9.2 307.0 3.2 308.0 11.9 309.0 5.8 310.0 2.8 311.0 7.5 312.0 3.4 313.0 2.7 314.0 4.1 315.0 4.0 316.0 13.6 317.0 4.7 318.0 3.2 319.0 5.8 320.0 2.1 324.0 2.7 325.0 1.0 327.0 4.0 328.0 3.3 329.0 4.4 330.0 2.0 332.0 2.1 333.0 1.2 334.0 5.2 335.0 2.4 336.0 1.3 337.0 14.7 338.0 3.9 341.0 1.0 342.0 1.5 347.0 3.6 348.0 1.0 352.0 13.3 353.0 6.8 354.0 1.6 355.0 14.2 356.0 4.0 370.0 63.4 371.0 19.4 372.0 3.7 373.0 1.9 388.0 44.0 389.0 12.8 390.0 2.2 406.0 20.8 407.0 6.5
in DMSO-d6
KBr disc
nujol mull
