Product Name3-oxopregn-4-ene-21,17alpha-carbolactone
CAS976-70-5
Molecular FormulaC22H30O3
Molecular Weight342.48
InChI
InChIKey
Smiles
Mass
MS-NW-8982 17-hydroxy-3-oxo-17alpha-pregn-4-ene-21-carboxylic gamma-lactone C22H30O3 (Mass of molecular ion: 342)
Source Temperature: 220 °C Sample Temperature: 170 °C Direct, 75 eV
18.0 1.5 28.0 2.6 29.0 2.6 39.0 1.4 41.0 9.4 42.0 1.1 43.0 5.3 53.0 4.3 54.0 1.1 55.0 19.2 56.0 6.4 57.0 3.6 65.0 2.4 66.0 1.4 67.0 14.7 68.0 5.9 69.0 5.4 70.0 1.9 71.0 1.4 77.0 9.2 78.0 2.3 79.0 20.4 80.0 3.7 81.0 14.5 82.0 2.4 83.0 5.0 84.0 1.4 85.0 2.2 87.0 1.4 91.0 19.5 92.0 4.1 93.0 19.2 94.0 6.9 95.0 15.6 96.0 3.4 97.0 8.0 98.0 7.1 99.0 3.5 101.0 1.2 103.0 1.5 104.0 1.5 105.0 21.1 106.0 8.2 107.0 22.8 108.0 9.0 109.0 14.7 110.0 5.3 111.0 25.2 112.0 5.9 113.0 1.9 115.0 2.2 116.0 1.2 117.0 6.0 118.0 3.9 119.0 19.8 120.0 10.4 121.0 22.0 122.0 19.3 123.0 24.3 124.0 38.0 125.0 7.1 128.0 1.6 129.0 3.4 130.0 1.8 131.0 9.6 132.0 4.9 133.0 14.2 134.0 10.2 135.0 9.4 136.0 6.5 137.0 8.2 138.0 4.1 141.0 1.4 142.0 1.4 143.0 5.3 144.0 3.0 145.0 14.2 146.0 7.6 147.0 18.2 148.0 20.5 149.0 14.0 150.0 4.6 151.0 1.4 152.0 1.0 153.0 6.0 154.0 1.0 155.0 2.1 156.0 1.8 157.0 7.1 158.0 3.3 159.0 13.4 160.0 4.6 161.0 8.1 162.0 4.8 163.0 5.2 164.0 1.5 165.0 1.9 166.0 2.5 167.0 1.4 169.0 1.9 170.0 1.4 171.0 4.4 172.0 3.4 173.0 8.1 174.0 5.8 175.0 5.4 176.0 2.7 177.0 2.1 179.0 1.9 183.0 3.0 184.0 2.1 185.0 5.8 186.0 3.3 187.0 9.8 188.0 3.3 189.0 7.1 190.0 2.2 191.0 1.4 193.0 1.9 195.0 1.3 197.0 1.9 198.0 1.7 199.0 3.8 200.0 7.2 201.0 8.9 202.0 4.8 203.0 4.6 204.0 1.7 205.0 2.7 206.0 1.9 207.0 2.7 209.0 2.8 210.0 1.2 211.0 5.5 212.0 1.7 213.0 8.3 214.0 3.2 215.0 6.1 216.0 3.4 217.0 6.6 218.0 10.9 219.0 14.3 220.0 5.9 221.0 8.0 222.0 1.6 224.0 4.1 225.0 2.7 226.0 3.2 227.0 10.2 228.0 3.4 229.0 11.9 230.0 3.9 231.0 18.7 232.0 10.4 233.0 5.9 234.0 2.2 239.0 1.6 241.0 2.2 242.0 15.9 243.0 6.2 244.0 19.5 245.0 16.8 246.0 7.3 247.0 1.7 251.0 3.2 252.0 1.9 253.0 1.0 257.0 9.0 258.0 2.9 259.0 1.1 260.0 1.6 267.0 1.7 268.0 1.6 269.0 18.9 270.0 5.1 271.0 3.0 272.0 2.0 277.0 1.1 281.0 1.5 282.0 1.7 283.0 1.8 284.0 1.3 285.0 3.0 286.0 1.9 287.0 2.4 296.0 2.0 298.0 2.5 299.0 2.0 300.0 31.7 301.0 7.1 302.0 1.0 306.0 1.0 309.0 4.7 310.0 1.2 314.0 5.4 315.0 1.3 324.0 7.5 325.0 2.6 326.0 1.1 327.0 6.4 328.0 2.1 329.0 1.4 340.0 1.0 342.0 100.0 343.0 24.4 344.0 9.5 345.0 1.8
in CDCl3
KBr disc
nujol mull
3-oxopregn-4-ene-21,17alpha-carbolactone (976-70-5) IR1 Atlas of Related Products
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