57-63-6

Ethinyl Estradiol(57-63-6) ¹³C NMR

Molecular FormulaC20H24O2

Molecular Weight296.41

InChIInChI=1/C20H24O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,5,7,12,16-18,21-22H,4,6,8-11H2,2H3/t16-,17-,18+,19+,20+/s3

InChIKey BFPYWIDHMRZLRN-CNWXAJSBNA-N

SmilesC[C@]12CC[C@]3([H])C4C=CC(O)=CC=4CC[C@@]3([H])[C@]1([H])CC[C@@]2(O)C#C |&1:1,4,15,17,21,r|

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Ethinyl Estradiol(57-63-6) <sup>13</sup>C NMR
Mass

MS-NW-9235          
17alpha-ethynyl-1,3,5(10)-estratriene-3,17beta-diol
C20H24O2            (Mass of molecular ion:    296)

   Source Temperature: 180 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      17.0       2.5
      18.0      13.6
      26.0       2.1
      27.0       1.2
      28.0       1.0
      29.0       1.0
      39.0       2.0
      41.0       4.5
      43.0       2.6
      51.0       1.0
      53.0       3.8
      55.0       5.0
      65.0       2.0
      67.0       3.4
      68.0       1.9
      69.0       2.1
      77.0       4.8
      78.0       1.0
      79.0       4.6
      81.0       3.7
      91.0       6.2
      92.0       1.2
      93.0       2.5
      95.0       2.2
      97.0       1.6
     103.0       2.0
     105.0       4.8
     107.0       7.3
     108.0       2.0
     109.0       1.0
     115.0       5.4
     116.0       2.4
     117.0       3.1
     119.0       1.9
     120.0       2.7
     121.0       4.7
     122.0       1.0
     123.0       1.0
     124.0       9.7
     125.0       1.1
     127.0       4.1
     128.0       3.1
     129.0       2.4
     131.0       6.9
     132.0       3.1
     133.0      19.9
     134.0       3.0
     135.0       1.2
     136.0       6.3
     137.0       2.5
     141.0       3.1
     143.0       1.0
     144.0       6.0
     145.0      13.3
     146.0      10.2
     147.0       5.2
     150.0       1.2
     152.0       1.0
     153.0       1.1
     157.0      10.0
     158.0       8.6
     159.0      17.3
     160.0      36.2
     161.0       6.7
     165.0       1.2
     169.0       1.0
     170.0       2.4
     171.0       5.4
     172.0      11.4
     173.0       6.0
     174.0       1.3
     181.0       1.1
     183.0       2.6
     184.0       2.1
     185.0       6.7
     186.0       4.4
     187.0       1.0
     195.0       1.6
     196.0       1.4
     197.0       3.1
     198.0       2.6
     199.0       4.2
     200.0       3.3
     208.0       1.5
     209.0       2.0
     210.0       2.4
     211.0       6.3
     212.0       2.6
     213.0     100.0
     214.0      17.0
     215.0       3.4
     221.0       1.2
     223.0       1.1
     224.0       2.1
     225.0       1.8
     226.0       4.2
     227.0       1.8
     228.0      14.6
     229.0       2.6
     235.0       1.2
     236.0       1.5
     237.0       1.4
     239.0       4.1
     240.0       1.1
     249.0       1.1
     250.0       3.5
     253.0       1.3
     263.0       1.6
     268.0       3.1
     270.0       4.4
     278.0       2.1
     279.0       1.0
     296.0      54.8
     297.0      12.0
     298.0       1.6