Methandriol(521-10-8) 13C NMR
Product NameMethandriol
CAS521-10-8
Molecular FormulaC20H32O2
Molecular Weight304.47
InChIInChI=1/C20H32O2/c1-18-9-6-14(21)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h4,14-17,21-22H,5-12H2,1-3H3/t14-,15+,16-,17-,18-,19-,20-/s3
InChIKey WRWBCPJQPDHXTJ-DYKSATAUNA-N
Smiles[C@@]12([H])CC=C3C[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@](CC[C@@]21[H])(O)C |&1:0,6,10,12,16,18,21,r|
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MassMS-NW-2612 17alpha-methyl-5-androstene-3beta,17beta-diol C20H32O2 (Mass of molecular ion: 304)
Source Temperature: 220 °C Sample Temperature: 140 °C Direct, 75 eV
17.0 3.0 18.0 14.1 27.0 6.1 28.0 2.7 29.0 10.3 31.0 1.9 39.0 8.3 40.0 1.7 41.0 29.1 42.0 1.6 43.0 51.0 44.0 1.8 45.0 2.4 51.0 2.6 52.0 1.3 53.0 10.7 54.0 1.5 55.0 26.4 56.0 1.6 57.0 9.2 58.0 4.4 59.0 2.2 63.0 1.1 65.0 6.6 66.0 2.4 67.0 21.5 68.0 3.1 69.0 9.6 71.0 13.2 72.0 4.0 77.0 17.1 78.0 5.0 79.0 29.9 80.0 4.9 81.0 29.9 82.0 3.7 83.0 5.8 84.0 1.0 85.0 5.3 91.0 41.4 92.0 9.9 93.0 30.9 94.0 8.9 95.0 23.4 96.0 3.2 97.0 5.1 98.0 1.3 99.0 1.4 103.0 3.8 104.0 3.8 105.0 44.6 106.0 13.6 107.0 43.6 108.0 13.1 109.0 14.8 110.0 2.8 111.0 2.7 113.0 1.0 115.0 6.2 116.0 3.4 117.0 14.2 118.0 9.4 119.0 34.0 120.0 23.7 121.0 22.3 122.0 8.1 123.0 7.4 124.0 4.1 125.0 4.7 127.0 1.6 128.0 5.9 129.0 9.5 130.0 4.8 131.0 21.2 132.0 8.6 133.0 29.3 134.0 12.5 135.0 22.9 136.0 4.7 137.0 3.0 138.0 1.9 141.0 4.5 142.0 3.5 143.0 22.7 144.0 9.4 145.0 45.1 146.0 12.0 147.0 24.6 148.0 9.0 149.0 6.2 150.0 2.0 151.0 3.1 152.0 1.2 153.0 1.4 154.0 1.0 155.0 4.8 156.0 7.1 157.0 17.4 158.0 22.8 159.0 32.7 160.0 17.5 161.0 23.5 162.0 7.3 163.0 6.0 164.0 2.2 165.0 3.1 166.0 1.2 167.0 1.4 169.0 5.8 170.0 2.7 171.0 16.3 172.0 8.9 173.0 22.2 174.0 10.2 175.0 19.7 176.0 7.7 177.0 4.2 178.0 3.2 179.0 2.3 181.0 1.2 183.0 5.7 184.0 2.6 185.0 11.1 186.0 10.4 187.0 13.9 188.0 5.0 189.0 4.7 190.0 1.9 191.0 1.9 192.0 1.8 193.0 4.8 195.0 2.0 196.0 1.0 197.0 17.2 198.0 5.2 199.0 10.4 200.0 4.9 201.0 10.6 202.0 3.4 203.0 2.3 204.0 1.4 205.0 1.1 211.0 14.4 212.0 8.6 213.0 68.8 214.0 14.8 215.0 26.8 216.0 6.2 217.0 3.1 218.0 1.1 219.0 2.2 225.0 3.2 226.0 7.8 227.0 16.8 228.0 30.2 229.0 19.0 230.0 5.0 231.0 28.6 232.0 6.8 233.0 2.4 239.0 2.7 240.0 1.5 241.0 1.1 242.0 1.3 243.0 2.4 244.0 5.8 245.0 5.6 246.0 15.2 247.0 3.6 249.0 2.4 251.0 3.2 252.0 1.1 253.0 100.0 254.0 20.7 255.0 3.8 257.0 1.6 264.0 1.1 266.0 1.5 267.0 1.3 268.0 25.2 269.0 7.2 270.0 1.9 271.0 38.8 272.0 8.2 273.0 1.1 286.0 36.3 287.0 7.9 288.0 1.1 289.0 7.1 290.0 1.5 302.0 1.2 304.0 47.8 305.0 10.5 306.0 1.3
in CDCl3
KBr disc
nujol mull
4880 A,200 M,powder
