(13β)-Abiet-8-en-18-oic acid(17611-16-4) MS
Product Name(13β)-Abiet-8-en-18-oic acid
CAS17611-16-4
Molecular FormulaC20H32O2
Molecular Weight304.47
InChIInChI=1S/C20H32O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h13-14,17H,5-12H2,1-4H3,(H,21,22)/t14-,17-,19-,20-/m1/s1
InChIKey OEILFLGOGZTONZ-SJFSSXKUSA-N
Smiles[C@@]1(C)(C(O)=O)[C@@]2([H])[C@@](C)(C3=C(CC2)C[C@H](C(C)C)CC3)CCC1
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MassMS-IW-7221 13alphah-delta(8)-dihydroabietic acid C20H32O2 (Mass of molecular ion: 304)
Source Temperature: 180 °C Sample Temperature: 160 °C Direct, 75 eV
17.0 1.4 18.0 6.9 27.0 4.7 28.0 6.6 29.0 6.6 39.0 5.0 41.0 26.3 42.0 1.7 43.0 18.6 44.0 2.1 45.0 1.6 51.0 1.4 53.0 6.1 55.0 21.9 56.0 1.3 57.0 4.3 65.0 4.3 66.0 1.1 67.0 14.6 68.0 1.4 69.0 17.8 70.0 1.4 71.0 1.6 77.0 11.1 78.0 3.0 79.0 17.4 80.0 3.3 81.0 22.4 82.0 3.6 83.0 6.2 87.0 1.6 91.0 28.4 92.0 5.5 93.0 19.3 94.0 4.4 95.0 24.6 96.0 2.5 97.0 3.3 103.0 2.6 104.0 1.9 105.0 25.8 106.0 6.5 107.0 21.3 108.0 6.7 109.0 23.0 110.0 2.8 111.0 2.5 115.0 7.7 116.0 3.0 117.0 11.1 118.0 2.9 119.0 13.9 120.0 6.0 121.0 15.0 122.0 4.1 123.0 6.5 125.0 3.4 127.0 1.6 128.0 5.4 129.0 7.6 130.0 3.2 131.0 16.9 132.0 3.6 133.0 18.5 134.0 5.5 135.0 23.9 136.0 7.8 137.0 3.3 139.0 2.6 141.0 3.6 142.0 2.6 143.0 6.2 144.0 2.4 145.0 13.8 146.0 4.0 147.0 11.8 148.0 4.0 149.0 7.1 150.0 10.2 151.0 7.3 152.0 2.4 153.0 1.9 155.0 2.3 156.0 1.1 157.0 4.3 158.0 1.8 159.0 15.0 160.0 3.6 161.0 6.9 162.0 2.5 163.0 4.5 164.0 1.0 165.0 2.1 166.0 1.6 167.0 3.7 169.0 2.0 171.0 2.6 172.0 1.3 173.0 8.2 174.0 3.7 175.0 5.2 176.0 1.9 177.0 3.0 178.0 1.2 179.0 5.5 180.0 6.5 181.0 2.1 183.0 1.5 185.0 2.5 186.0 1.2 187.0 41.6 188.0 7.7 189.0 7.4 190.0 3.6 191.0 1.9 193.0 2.4 195.0 1.0 197.0 1.6 199.0 2.0 200.0 1.4 201.0 6.6 202.0 2.6 203.0 4.8 204.0 1.4 205.0 3.8 206.0 1.0 213.0 3.9 214.0 1.3 215.0 15.7 216.0 4.5 217.0 3.8 218.0 1.2 219.0 1.5 220.0 3.8 221.0 1.4 225.0 1.6 227.0 1.0 229.0 3.9 230.0 1.3 233.0 2.5 239.0 1.6 241.0 4.8 242.0 1.5 243.0 69.4 244.0 14.7 245.0 7.3 246.0 1.4 253.0 3.1 254.0 1.7 256.0 2.9 257.0 1.9 258.0 24.2 259.0 22.6 260.0 7.7 261.0 9.2 262.0 1.8 268.0 1.4 271.0 15.8 272.0 3.5 286.0 1.2 289.0 100.0 290.0 21.8 291.0 2.6 304.0 46.9 305.0 10.7 306.0 1.4
in CDCl3
