Androsterone(53-41-8) 13C NMR
Product NameAndrosterone
CAS53-41-8
Molecular FormulaC19H30O2
Molecular Weight290.44
InChIInChI=1/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-16,20H,3-11H2,1-2H3/t12-,13+,14-,15-,16-,18-,19-/s3
InChIKey QGXBDMJGAMFCBF-SNMREENENA-N
Smiles[C@@]12([H])CC[C@@]3([H])C[C@H](O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)C(CC[C@@]21[H])=O |&1:0,4,7,11,13,17,22,r|
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MassMS-NW-8754 androsterone C19H30O2 (Mass of molecular ion: 290)
Source Temperature: 190 °C Sample Temperature: 120 °C Direct, 75 eV
17.0 1.3 18.0 7.0 27.0 1.8 28.0 1.5 29.0 4.9 39.0 2.9 41.0 16.7 42.0 1.3 43.0 6.7 53.0 5.8 54.0 1.8 55.0 18.2 56.0 1.3 57.0 4.3 65.0 2.9 66.0 1.5 67.0 21.1 68.0 4.2 69.0 6.3 70.0 1.1 71.0 1.3 77.0 8.1 78.0 2.1 79.0 19.7 80.0 5.0 81.0 19.4 82.0 4.4 83.0 3.9 91.0 16.8 92.0 4.4 93.0 22.1 94.0 11.6 95.0 15.3 96.0 3.8 97.0 17.0 98.0 1.7 101.0 1.1 104.0 1.0 105.0 14.6 106.0 10.6 107.0 33.7 108.0 38.3 109.0 15.2 110.0 12.9 111.0 3.9 115.0 2.6 117.0 3.1 118.0 2.3 119.0 10.4 120.0 10.1 121.0 12.7 122.0 12.9 123.0 8.0 124.0 18.4 125.0 3.4 129.0 1.4 131.0 6.0 132.0 2.4 133.0 9.5 134.0 6.9 135.0 7.6 136.0 6.6 137.0 3.9 138.0 2.2 143.0 1.9 144.0 1.9 145.0 8.6 146.0 6.7 147.0 18.9 148.0 11.1 149.0 8.7 150.0 3.4 151.0 6.6 152.0 1.7 157.0 1.9 158.0 1.9 159.0 6.2 160.0 5.1 161.0 9.4 162.0 4.4 163.0 3.5 164.0 10.9 165.0 11.9 166.0 3.9 171.0 1.7 172.0 1.2 173.0 5.5 174.0 3.5 175.0 4.2 176.0 4.6 177.0 2.6 178.0 1.8 185.0 1.4 186.0 1.1 187.0 3.5 188.0 2.0 189.0 2.5 190.0 9.7 191.0 3.3 194.0 1.0 197.0 1.2 199.0 2.6 200.0 1.3 201.0 9.9 202.0 3.2 203.0 1.7 204.0 1.0 213.0 12.4 214.0 3.1 215.0 12.8 216.0 12.5 217.0 5.3 218.0 8.0 219.0 7.0 220.0 1.5 228.0 6.2 229.0 5.1 230.0 3.3 231.0 7.5 232.0 2.3 233.0 6.5 234.0 7.0 235.0 1.2 239.0 10.8 240.0 2.2 241.0 1.5 243.0 1.0 244.0 2.6 246.0 27.9 247.0 6.6 248.0 3.2 254.0 7.1 255.0 2.3 256.0 3.2 257.0 19.7 258.0 4.0 262.0 1.0 272.0 24.4 273.0 5.5 274.0 2.0 275.0 13.9 276.0 2.8 288.0 2.1 290.0 100.0 291.0 20.6 292.0 2.6
400 MHz in CDCl3
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1H NMR 399.65 MHz C19 H30 O2 0.027 g : 0.5 ml CDCl3 androsterone 
Assign. Shift(ppm)
A 4.053 B 2.431 C 2.069 D 1.94 E 1.80 F 1.66 J 1.56 to 1.48 K 1.46 L 1.33 M 1.31 to 1.23 N 1.22 P 1.022 Q 0.861 R 0.84 S 0.808 ASSIGNED BY H-H AND C-H COSY. J(B,C)=-19.3HZ J(C,D)=9.0HZ J(D,J)=-12.3HZ J(D,M)=5.7HZ J(B,D)=0.9HZ J(B,J)=9.0HZ
Hz ppm Int.1622.68 4.061 74 1619.87 4.054 106 1617.31 4.047 72 987.55 2.472 45 986.69 2.469 47 978.64 2.449 53 977.78 2.447 51 968.26 2.423 59 967.41 2.421 63 959.35 2.401 65 958.74 2.399 62 845.58 2.116 43 836.55 2.094 102 827.39 2.071 68 826.42 2.068 48 817.38 2.046 79 808.35 2.023 52 724.49 1.813 105 721.56 1.806 90 718.99 1.800 45 715.33 1.790 63 712.77 1.784 106 709.72 1.776 76 678.96 1.699 72 677.25 1.695 62 676.03 1.692 74 674.80 1.689 60 672.97 1.684 52 671.51 1.681 56 666.50 1.668 88 663.82 1.662 71 663.57 1.661 71 662.60 1.658 77 661.50 1.656 70 659.30 1.650 71 657.35 1.645 82 654.54 1.638 77 652.22 1.632 74 649.66 1.626 41 647.83 1.621 41 639.89 1.602 62 638.31 1.598 56 635.25 1.590 73 631.71 1.581 49 629.15 1.575 68 627.56 1.571 69 624.51 1.563 98 621.09 1.555 82 619.26 1.550 120 617.31 1.545 117 613.89 1.537 81 610.47 1.528 84 606.45 1.518 143 603.52 1.511 117 601.56 1.506 62 598.02 1.497 124 594.48 1.488 91 593.63 1.486 93 590.82 1.479 83 588.87 1.474 62 585.45 1.465 103 582.28 1.457 68 580.81 1.454 62 577.88 1.446 50 576.66 1.443 45 567.99 1.422 79 565.55 1.416 73 554.69 1.388 45 552.12 1.382 41 547.97 1.372 47 543.09 1.359 45 534.30 1.337 71 530.03 1.327 69 526.25 1.317 66 520.63 1.303 124 517.21 1.295 85 515.75 1.291 95 513.55 1.285 79 507.81 1.271 175 506.10 1.267 172 504.39 1.263 143 502.81 1.259 154 498.66 1.248 93 496.70 1.243 124 493.53 1.235 85 492.19 1.232 81 480.83 1.204 44 415.77 1.041 52 410.52 1.028 45 403.44 1.010 48 344.12 0.862 1000 338.62 0.848 45 337.40 0.845 43 337.16 0.844 43 334.23 0.837 76 322.88 0.808 919
in CDCl3
KBr disc
nujol mull
Henan Bao Enluo International TradeCo.，LTD
Wuhan Cell Pharmaceutical Co., Ltd
Shanghai Quedan biology science and technology co., ltd
Hefei TNJ Chemical Industry Co.,Ltd.
Zhuzhou Yaozhijie Chemical Co., LTD
Baoji Guokang Healthchem co.,ltd
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd