34209-81-9

16,17-环氧孕烯醇酮醋酸酯(34209-81-9)红外图谱(IR2)

分子式:C23H32O4

分子量: 372.51

InChI:InChI=1/C23H32O4/c1-13(24)23-20(27-23)12-19-17-6-5-15-11-16(26-14(2)25)7-9-21(15,3)18(17)8-10-22(19,23)4/h5,16-20H,6-12H2,1-4H3/t16-,17+,18-,19-,20+,21-,22-,23+/s3

InChIKey: YRLVTBXOGJMZNC-YJKZJLJTNA-N

Smiles:C([C@@]12O[C@@H]1C[C@@]1([H])[C@]3([H])CC=C4C[C@@H](OC(=O)C)CC[C@]4(C)[C@@]3([H])CC[C@]21C)(=O)C |&1:1,3,5,7,13,20,22,26,r|

IR1

IR2

Raman

Mass

MS-IW-3064          
16alpha,17-epoxy-20-oxo-5-pregnen-3beta-yl acetate
C23H32O4            (Mass of molecular ion:    372)

   Source Temperature: 180 °C
   Sample Temperature: 160 °C
   Direct, 75 eV

      15.0       1.0
      27.0       1.3
      28.0       1.0
      29.0       2.4
      39.0       1.6
      41.0       8.8
      43.0      55.3
      44.0       1.5
      53.0       3.7
      55.0       9.4
      57.0       1.1
      65.0       2.1
      67.0       6.9
      69.0       2.4
      77.0       5.9
      78.0       1.6
      79.0      10.0
      80.0       1.6
      81.0      12.3
      82.0       1.0
      83.0       1.5
      85.0       1.4
      91.0      14.7
      92.0       3.2
      93.0       9.9
      94.0       2.0
      95.0       4.8
      97.0       1.4
     103.0       1.4
     104.0       1.3
     105.0      17.7
     106.0       4.3
     107.0      15.0
     108.0       2.8
     109.0       4.9
     111.0       1.2
     115.0       2.5
     116.0       1.4
     117.0       5.6
     118.0       2.3
     119.0       8.1
     120.0       5.4
     121.0      10.8
     122.0       2.1
     123.0       2.7
     128.0       2.7
     129.0       4.7
     130.0       2.2
     131.0       9.1
     132.0       2.3
     133.0       5.6
     134.0       1.3
     135.0       3.9
     136.0       1.0
     137.0       2.5
     141.0       4.2
     142.0       2.3
     143.0      10.7
     144.0       3.3
     145.0      13.2
     146.0       5.3
     147.0       7.6
     148.0       2.2
     149.0       2.4
     151.0       3.4
     155.0       3.4
     156.0       1.7
     157.0       7.3
     158.0       6.2
     159.0      11.2
     160.0       3.0
     161.0       4.5
     162.0       1.2
     163.0       4.6
     167.0       1.2
     169.0       2.8
     170.0       1.2
     171.0       4.6
     172.0       1.9
     173.0       2.8
     174.0       1.0
     175.0       3.4
     181.0       1.9
     183.0       2.5
     184.0       1.1
     185.0       2.6
     186.0       1.1
     187.0       2.4
     188.0       1.1
     189.0       6.8
     190.0       1.2
     191.0       1.1
     195.0       2.6
     196.0       1.1
     197.0       3.0
     198.0       1.1
     199.0       2.0
     201.0       1.6
     203.0       1.1
     209.0       2.0
     211.0       2.6
     212.0       1.2
     213.0       1.9
     223.0       1.3
     225.0       1.5
     227.0       1.0
     235.0       1.1
     236.0       1.7
     237.0       9.9
     238.0       2.1
     241.0       1.2
     251.0      19.3
     252.0       7.1
     253.0       2.6
     254.0       1.0
     269.0      31.1
     270.0       6.7
     279.0       8.8
     280.0       1.9
     294.0       1.4
     296.0       3.0
     297.0       6.8
     298.0       1.4
     312.0     100.0
     313.0      23.0
     314.0       3.0

KBr disc