3BETA-HYDROXY-DELTA5-CHOLENIC ACID(5255-17-4) 1H NMR
Product Name3BETA-HYDROXY-DELTA5-CHOLENIC ACID
CAS5255-17-4
Molecular FormulaC24H38O3
Molecular Weight374.57
InChIInChI=1/C24H38O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h5,15,17-21,25H,4,6-14H2,1-3H3,(H,26,27)/t15-,17+,18+,19-,20+,21+,23+,24-/s3
InChIKey HIAJCGFYHIANNA-ZSWKZNPUNA-N
SmilesC[C@]12CC[C@]3([H])[C@]4(CC[C@H](O)CC4=CC[C@@]3([H])[C@]1([H])CC[C@]2([H])[C@H](C)CCC(=O)O)C |&1:1,4,6,9,15,17,21,23,r|
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MassMS-NW-2366 3beta-hydroxy-5-cholen-24-oic acid C24H38O3 (Mass of molecular ion: 374)
Source Temperature: 250 °C Sample Temperature: 190 °C Direct, 75 eV
15.0 1.7 17.0 5.5 18.0 26.7 26.0 1.7 27.0 13.6 28.0 7.5 29.0 33.1 30.0 1.3 31.0 4.5 39.0 14.5 40.0 3.1 41.0 72.0 42.0 4.4 43.0 23.9 44.0 1.9 45.0 5.3 51.0 3.5 52.0 1.9 53.0 21.5 54.0 3.9 55.0 99.6 56.0 6.2 57.0 12.0 58.0 1.2 59.0 10.9 60.0 8.5 63.0 1.3 65.0 11.4 66.0 4.5 67.0 58.6 68.0 9.7 69.0 28.8 70.0 2.5 71.0 5.1 73.0 4.3 74.0 1.2 76.0 1.4 77.0 30.9 78.0 8.9 79.0 64.4 80.0 10.6 81.0 84.0 82.0 10.3 83.0 21.3 84.0 2.6 85.0 11.0 86.0 1.1 87.0 2.6 89.0 1.2 91.0 72.3 92.0 18.6 93.0 70.9 94.0 20.1 95.0 72.2 96.0 8.4 97.0 10.8 98.0 1.7 99.0 5.7 100.0 1.4 101.0 11.9 102.0 1.9 103.0 6.2 104.0 6.3 105.0 80.3 106.0 26.2 107.0 100.0 108.0 24.7 109.0 38.8 110.0 6.3 111.0 6.3 112.0 1.2 113.0 1.4 114.0 1.2 115.0 11.7 116.0 5.5 117.0 27.1 118.0 16.1 119.0 56.1 120.0 46.0 121.0 59.7 122.0 15.0 123.0 19.2 124.0 13.8 125.0 14.7 126.0 2.0 127.0 9.5 128.0 10.0 129.0 16.8 130.0 8.2 131.0 41.0 132.0 14.0 133.0 51.2 134.0 19.6 135.0 44.5 136.0 10.4 137.0 8.7 138.0 4.6 139.0 2.9 140.0 2.2 141.0 12.3 142.0 6.7 143.0 38.9 144.0 14.6 145.0 87.4 146.0 22.1 147.0 52.8 148.0 17.7 149.0 24.6 150.0 4.9 151.0 5.9 152.0 5.1 153.0 6.4 154.0 2.2 155.0 6.3 156.0 4.0 157.0 21.0 158.0 21.2 159.0 52.4 160.0 37.3 161.0 58.4 162.0 16.0 163.0 17.0 164.0 4.3 165.0 6.2 166.0 1.7 167.0 4.9 168.0 1.5 169.0 4.9 170.0 2.3 171.0 18.8 172.0 8.1 173.0 28.5 174.0 12.3 175.0 15.1 176.0 6.5 177.0 7.9 178.0 16.5 179.0 7.6 180.0 2.3 181.0 11.8 182.0 2.4 183.0 4.9 184.0 2.1 185.0 18.2 186.0 9.0 187.0 16.3 188.0 4.8 189.0 9.8 190.0 2.5 191.0 3.8 192.0 2.6 193.0 8.7 194.0 10.3 195.0 17.1 196.0 3.7 197.0 6.9 198.0 2.7 199.0 20.0 200.0 7.3 201.0 12.2 202.0 3.9 203.0 5.4 204.0 1.8 205.0 2.3 206.0 1.5 207.0 6.7 208.0 6.1 209.0 5.0 210.0 1.6 211.0 4.9 212.0 2.8 213.0 59.1 214.0 16.3 215.0 12.0 216.0 3.4 217.0 6.6 218.0 2.7 219.0 3.2 220.0 1.5 221.0 3.9 222.0 1.1 223.0 2.1 225.0 3.0 226.0 1.8 227.0 8.8 228.0 18.2 229.0 12.9 230.0 3.8 231.0 23.9 232.0 6.9 233.0 5.6 234.0 4.8 235.0 37.5 236.0 8.2 237.0 2.4 238.0 1.0 239.0 2.0 240.0 1.5 241.0 3.4 242.0 1.4 243.0 1.4 244.0 1.5 245.0 4.8 246.0 9.0 247.0 6.1 248.0 9.3 249.0 10.7 250.0 4.4 251.0 2.1 253.0 7.2 254.0 2.1 255.0 31.5 256.0 7.2 257.0 1.8 259.0 1.3 260.0 1.0 261.0 2.4 262.0 14.5 263.0 81.3 264.0 15.9 265.0 2.9 267.0 1.4 269.0 1.7 270.0 1.0 271.0 1.9 273.0 14.4 274.0 4.1 275.0 2.9 276.0 1.7 281.0 1.5 282.0 1.7 283.0 2.0 285.0 1.0 287.0 2.1 288.0 3.5 289.0 35.0 290.0 8.1 291.0 1.4 295.0 1.2 298.0 3.2 299.0 2.9 300.0 1.2 301.0 3.5 302.0 3.7 303.0 1.8 304.0 1.0 305.0 1.6 310.0 1.5 313.0 1.2 314.0 6.7 315.0 5.6 316.0 2.4 317.0 4.2 318.0 1.5 323.0 2.7 324.0 1.0 327.0 1.5 328.0 1.9 330.0 1.8 331.0 1.3 338.0 2.8 339.0 1.9 340.0 1.0 341.0 29.2 342.0 7.7 343.0 1.6 354.0 1.1 355.0 1.2 356.0 40.8 357.0 11.2 358.0 2.3 359.0 12.1 360.0 3.2 370.0 1.5 372.0 1.5 374.0 34.1 375.0 9.0 376.0 1.4
KBr disc
nujol mull
