16a,17a-Epoxyprogesterone(1097-51-4) IR2
Product Name16a,17a-Epoxyprogesterone
CAS1097-51-4
Molecular FormulaC21H28O3
Molecular Weight328.45
InChIInChI=1S/C21H28O3/c1-12(22)21-18(24-21)11-17-15-5-4-13-10-14(23)6-8-19(13,2)16(15)7-9-20(17,21)3/h10,15-18H,4-9,11H2,1-3H3/t15-,16+,17+,18-,19+,20+,21-/m1/s1
InChIKey LHNVKVKZPHUYQO-SRWWVFQWSA-N
Smiles[C@]12([C@@]3(O[C@@H]3C[C@@]1([H])[C@]1([H])CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])CC2)C(C)=O)C
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MassMS-NW-2407 16alpha,17-epoxyprogesterone C21H28O3 (Mass of molecular ion: 328)
Source Temperature: 250 °C Sample Temperature: 180 °C Direct, 75 eV
14.0 1.8 15.0 4.4 17.0 4.6 18.0 23.2 26.0 1.0 27.0 10.6 28.0 5.2 29.0 7.7 39.0 14.8 40.0 3.0 41.0 27.2 42.0 3.8 43.0 100.0 44.0 3.2 45.0 1.1 50.0 1.5 51.0 5.9 52.0 3.2 53.0 15.0 54.0 2.2 55.0 19.4 56.0 1.0 57.0 2.2 63.0 3.1 64.0 1.2 65.0 9.9 66.0 4.2 67.0 15.1 68.0 1.7 69.0 4.5 71.0 1.9 76.0 1.5 77.0 22.5 78.0 6.7 79.0 27.4 80.0 5.8 81.0 15.1 82.0 2.7 83.0 5.1 85.0 2.7 89.0 2.4 90.0 1.1 91.0 35.5 92.0 6.3 93.0 20.2 94.0 5.9 95.0 14.3 96.0 4.7 97.0 7.5 98.0 1.5 99.0 1.6 100.0 1.3 101.0 2.6 102.0 1.8 103.0 4.7 104.0 3.0 105.0 25.5 106.0 8.0 107.0 21.2 108.0 7.0 109.0 20.7 110.0 5.7 111.0 5.3 112.0 1.2 113.0 1.4 114.0 1.2 115.0 10.7 116.0 4.3 117.0 12.2 118.0 4.9 119.0 17.2 120.0 6.8 121.0 17.3 122.0 18.7 123.0 25.9 124.0 25.6 125.0 4.7 126.0 1.6 127.0 4.0 128.0 9.8 129.0 13.7 130.0 5.6 131.0 18.4 132.0 6.5 133.0 16.3 134.0 8.8 135.0 16.0 136.0 8.8 137.0 11.3 138.0 4.6 139.0 2.3 140.0 1.0 141.0 7.6 142.0 6.2 143.0 27.6 144.0 20.3 145.0 30.0 146.0 16.0 147.0 18.4 148.0 7.0 149.0 9.6 150.0 3.8 151.0 5.8 152.0 6.2 153.0 5.3 154.0 2.5 155.0 7.3 156.0 4.5 157.0 11.1 158.0 8.0 159.0 15.0 160.0 9.4 161.0 19.2 162.0 11.0 163.0 13.7 164.0 3.2 165.0 5.7 166.0 2.6 167.0 4.1 168.0 2.9 169.0 10.8 170.0 5.3 171.0 10.7 172.0 5.6 173.0 11.1 174.0 6.8 175.0 9.5 176.0 5.0 177.0 4.5 178.0 3.6 179.0 3.9 180.0 2.1 181.0 4.1 182.0 2.3 183.0 7.2 184.0 4.0 185.0 6.9 186.0 5.8 187.0 12.3 188.0 5.8 189.0 9.9 190.0 2.9 191.0 4.3 192.0 2.5 193.0 3.6 194.0 2.1 195.0 4.2 196.0 2.6 197.0 5.5 198.0 3.1 199.0 4.3 200.0 3.1 201.0 4.5 202.0 4.9 203.0 3.6 204.0 2.3 205.0 4.2 206.0 2.3 207.0 3.5 208.0 2.3 209.0 4.9 210.0 3.3 211.0 5.8 212.0 3.4 213.0 4.0 214.0 2.5 215.0 5.0 216.0 2.5 217.0 2.4 218.0 1.5 219.0 2.2 220.0 1.7 221.0 2.5 222.0 2.2 223.0 3.1 224.0 2.7 225.0 9.7 226.0 7.0 227.0 5.6 228.0 3.8 229.0 4.4 230.0 3.1 231.0 2.7 232.0 1.9 233.0 3.0 234.0 2.0 235.0 3.7 236.0 1.7 237.0 2.1 238.0 1.3 239.0 5.5 240.0 2.7 241.0 3.2 242.0 3.3 243.0 18.1 244.0 6.2 245.0 2.4 246.0 2.7 247.0 2.5 248.0 2.8 249.0 5.8 250.0 4.2 251.0 4.2 252.0 2.4 253.0 7.0 254.0 2.3 255.0 2.3 256.0 2.3 257.0 4.4 258.0 2.4 259.0 2.2 260.0 1.7 261.0 1.7 262.0 1.7 263.0 1.4 264.0 2.0 265.0 2.1 266.0 3.4 267.0 18.4 268.0 20.5 269.0 11.3 270.0 5.3 271.0 3.4 272.0 3.0 273.0 1.2 274.0 2.8 275.0 1.5 276.0 2.1 277.0 2.1 278.0 1.2 279.0 1.4 280.0 1.0 281.0 3.2 282.0 4.1 283.0 2.4 284.0 10.9 285.0 19.7 286.0 12.6 287.0 2.4 290.0 1.3 292.0 3.2 293.0 1.3 294.0 2.0 295.0 3.0 296.0 1.1 297.0 3.0 298.0 1.3 299.0 1.2 300.0 1.6 310.0 6.9 311.0 2.0 312.0 4.9 313.0 3.0 328.0 18.7 329.0 4.5 342.0 1.0
in CDCl3
KBr disc
nujol mull
