16,17-Epoxypregnenolone acetate(34209-81-9) MS
Product Name16,17-Epoxypregnenolone acetate
CAS34209-81-9
Molecular FormulaC23H32O4
Molecular Weight372.51
InChIInChI=1/C23H32O4/c1-13(24)23-20(27-23)12-19-17-6-5-15-11-16(26-14(2)25)7-9-21(15,3)18(17)8-10-22(19,23)4/h5,16-20H,6-12H2,1-4H3/t16-,17+,18-,19-,20+,21-,22-,23+/s3
InChIKey YRLVTBXOGJMZNC-YJKZJLJTNA-N
SmilesC([C@@]12O[C@@H]1C[C@@]1([H])[C@]3([H])CC=C4C[C@@H](OC(=O)C)CC[C@]4(C)[C@@]3([H])CC[C@]21C)(=O)C |&1:1,3,5,7,13,20,22,26,r|
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MassMS-IW-3064 16alpha,17-epoxy-20-oxo-5-pregnen-3beta-yl acetate C23H32O4 (Mass of molecular ion: 372)
Source Temperature: 180 °C Sample Temperature: 160 °C Direct, 75 eV
15.0 1.0 27.0 1.3 28.0 1.0 29.0 2.4 39.0 1.6 41.0 8.8 43.0 55.3 44.0 1.5 53.0 3.7 55.0 9.4 57.0 1.1 65.0 2.1 67.0 6.9 69.0 2.4 77.0 5.9 78.0 1.6 79.0 10.0 80.0 1.6 81.0 12.3 82.0 1.0 83.0 1.5 85.0 1.4 91.0 14.7 92.0 3.2 93.0 9.9 94.0 2.0 95.0 4.8 97.0 1.4 103.0 1.4 104.0 1.3 105.0 17.7 106.0 4.3 107.0 15.0 108.0 2.8 109.0 4.9 111.0 1.2 115.0 2.5 116.0 1.4 117.0 5.6 118.0 2.3 119.0 8.1 120.0 5.4 121.0 10.8 122.0 2.1 123.0 2.7 128.0 2.7 129.0 4.7 130.0 2.2 131.0 9.1 132.0 2.3 133.0 5.6 134.0 1.3 135.0 3.9 136.0 1.0 137.0 2.5 141.0 4.2 142.0 2.3 143.0 10.7 144.0 3.3 145.0 13.2 146.0 5.3 147.0 7.6 148.0 2.2 149.0 2.4 151.0 3.4 155.0 3.4 156.0 1.7 157.0 7.3 158.0 6.2 159.0 11.2 160.0 3.0 161.0 4.5 162.0 1.2 163.0 4.6 167.0 1.2 169.0 2.8 170.0 1.2 171.0 4.6 172.0 1.9 173.0 2.8 174.0 1.0 175.0 3.4 181.0 1.9 183.0 2.5 184.0 1.1 185.0 2.6 186.0 1.1 187.0 2.4 188.0 1.1 189.0 6.8 190.0 1.2 191.0 1.1 195.0 2.6 196.0 1.1 197.0 3.0 198.0 1.1 199.0 2.0 201.0 1.6 203.0 1.1 209.0 2.0 211.0 2.6 212.0 1.2 213.0 1.9 223.0 1.3 225.0 1.5 227.0 1.0 235.0 1.1 236.0 1.7 237.0 9.9 238.0 2.1 241.0 1.2 251.0 19.3 252.0 7.1 253.0 2.6 254.0 1.0 269.0 31.1 270.0 6.7 279.0 8.8 280.0 1.9 294.0 1.4 296.0 3.0 297.0 6.8 298.0 1.4 312.0 100.0 313.0 23.0 314.0 3.0
KBr disc
nujol mull
4880 A,200 M,powder
