Chlormadinone acetate (302-22-7) IR2

Molecular FormulaC23H29ClO4

Molecular Weight404.93

InChIInChI=1S/C23H29ClO4/c1-13(25)23(28-14(2)26)10-7-18-16-12-20(24)19-11-15(27)5-8-21(19,3)17(16)6-9-22(18,23)4/h11-12,16-18H,5-10H2,1-4H3/t16-,17+,18+,21-,22+,23+/m1/s1

InChIKey QMBJSIBWORFWQT-DFXBJWIESA-N

SmilesC1(=O)C=C2[C@](C)(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)[C@@](OC(C)=O)(C(=O)C)CC3)C=C2Cl

Request For Quotation

¹³CNMR

IR1

IR2

Mass

MS-IW-3585          
17-acetoxy-6-chloro-4,6-pregnadiene-3,20-dione
C23H29ClO4          (Mass of molecular ion:    404)

   Source Temperature: 170 °C
   Sample Temperature: 170 °C
   Direct, 75 eV

      18.0       2.9
      39.0       1.0
      41.0       3.4
      43.0      61.8
      44.0       1.6
      45.0       1.7
      53.0       1.8
      55.0       4.6
      60.0       1.5
      65.0       1.4
      67.0       2.5
      69.0       1.1
      77.0       3.7
      79.0       4.1
      81.0       2.6
      83.0       1.0
      91.0       5.9
      93.0       3.5
      95.0       2.5
      97.0       2.2
     103.0       1.7
     105.0       3.4
     107.0       7.1
     109.0       1.8
     115.0       4.1
     116.0       1.7
     117.0       2.5
     119.0       1.7
     121.0       1.7
     123.0       2.1
     125.0       1.2
     127.0       1.6
     128.0       3.4
     129.0       4.0
     130.0       1.5
     131.0       4.0
     132.0       1.2
     133.0       5.2
     135.0       3.4
     136.0       1.6
     137.0       1.4
     139.0       1.2
     141.0       2.4
     142.0       1.6
     143.0       2.7
     144.0       1.4
     145.0       2.1
     147.0       1.4
     149.0       3.2
     150.0       1.9
     151.0       1.5
     152.0       1.4
     153.0       1.7
     155.0       1.8
     157.0       2.2
     159.0       1.8
     160.0       1.0
     165.0       3.2
     166.0       1.4
     167.0       2.1
     168.0       1.0
     169.0       1.4
     170.0       1.9
     171.0       1.8
     172.0       1.2
     173.0       3.3
     174.0       1.2
     175.0      14.4
     176.0       2.1
     177.0       1.2
     178.0       1.0
     179.0       2.5
     180.0       1.1
     181.0       2.4
     183.0       1.4
     189.0       1.0
     191.0       1.5
     193.0       3.2
     194.0       2.8
     195.0       3.7
     196.0       1.7
     197.0       1.5
     205.0       1.7
     207.0      10.5
     208.0       5.1
     209.0       5.7
     210.0       2.3
     211.0       1.3
     219.0       1.1
     221.0       1.4
     223.0       2.2
     225.0       1.8
     233.0       1.5
     234.0       4.5
     235.0       1.3
     236.0       1.7
     237.0       1.3
     245.0       1.6
     247.0       1.5
     249.0       1.0
     250.0       1.8
     251.0       3.9
     252.0       1.1
     259.0       1.1
     261.0       2.8
     263.0       1.7
     265.0       4.9
     266.0       9.4
     267.0      13.6
     268.0       2.8
     276.0       2.9
     278.0       1.0
     283.0       1.5
     287.0       1.0
     300.0       1.9
     301.0     100.0
     302.0      23.7
     303.0      35.0
     304.0       7.9
     305.0       1.1
     309.0       4.4
     310.0       1.2
     319.0      16.2
     320.0       4.0
     321.0       5.8
     322.0       1.2
     329.0       2.7
     331.0       1.0
     344.0       9.2
     345.0       2.3
     346.0       3.9
     362.0       2.4
     404.0       3.0
     406.0       1.1

in CDCl3