434-07-1

羟甲烯龙(434-07-1)红外图谱(IR2)

分子式:C21H32O3

分子量: 332.48

InChI:InChI=1/C21H32O3/c1-19-11-13(12-22)18(23)10-14(19)4-5-15-16(19)6-8-20(2)17(15)7-9-21(20,3)24/h12,14-17,22,24H,4-11H2,1-3H3/b13-12+/t14-,15+,16-,17-,19-,20-,21-/s3

InChIKey: ICMWWNHDUZJFDW-OPBQNMMKNA-N

Smiles:[C@]12([H])CC[C@]3(C)[C@](CC[C@@]3([H])[C@]1([H])CC[C@@]1([H])CC(=O)/C(=C/O)/C[C@]21C)(O)C |&1:0,4,6,9,11,15,24,r|

Mass

MS2006-03095WA      
17beta-hydroxy-2-hydroxymethylene-17alpha-methyl-5alpha-androstan-3-one
C21H32O3            (Mass of molecular ion:    332)

   Source Temperature: 250 °C
   Sample Temperature:  20 °C
   Direct, 70 eV

      17.0       1.4
      18.0       6.1
      27.0       2.5
      29.0       4.8
      39.0       3.4
      40.0       1.0
      41.0      17.9
      42.0       1.3
      43.0      39.5
      44.0       1.1
      45.0       1.4
      53.0       7.5
      54.0       1.6
      55.0      18.8
      56.0       4.7
      57.0       5.3
      58.0       4.6
      59.0       1.6
      65.0       4.0
      66.0       1.7
      67.0      19.0
      68.0       3.9
      69.0       9.4
      70.0       2.1
      71.0      24.5
      72.0       5.7
      77.0      11.7
      78.0       2.5
      79.0      21.8
      80.0       5.0
      81.0      25.4
      82.0       3.1
      83.0       6.3
      84.0       2.8
      85.0       6.8
      91.0      23.4
      92.0       4.6
      93.0      23.5
      94.0       6.5
      95.0      20.1
      96.0       2.5
      97.0       3.6
      98.0       1.5
      99.0       2.3
     100.0       6.0
     101.0       1.4
     103.0       1.9
     104.0       1.4
     105.0      22.5
     106.0      10.4
     107.0      24.4
     108.0      17.1
     109.0      18.5
     110.0       2.6
     111.0       4.6
     115.0       2.4
     116.0       2.2
     117.0       4.7
     118.0       4.3
     119.0      14.5
     120.0       8.0
     121.0      17.8
     122.0       6.7
     123.0      14.7
     124.0       3.0
     125.0       4.2
     128.0       1.8
     129.0       2.7
     130.0       1.3
     131.0       6.7
     132.0       2.8
     133.0      11.7
     134.0      10.2
     135.0      11.2
     136.0       6.5
     137.0      13.8
     138.0       3.9
     139.0       6.5
     141.0       1.4
     142.0       1.1
     143.0       3.2
     144.0       1.5
     145.0      11.1
     146.0       4.0
     147.0      20.2
     148.0       7.9
     149.0       9.3
     150.0      20.0
     151.0       9.9
     152.0       6.5
     153.0       2.6
     155.0       1.1
     157.0       4.7
     158.0       3.2
     159.0      23.8
     160.0      10.5
     161.0      35.4
     162.0      19.7
     163.0      23.6
     164.0       6.4
     165.0       3.4
     166.0       1.3
     169.0       1.3
     171.0       2.9
     172.0      11.2
     173.0       8.8
     174.0      64.2
     175.0      27.6
     176.0      58.0
     177.0      11.8
     178.0       2.1
     179.0       2.4
     183.0       1.3
     185.0       2.5
     186.0       2.1
     187.0       5.5
     188.0       3.6
     189.0       4.3
     190.0       4.6
     191.0       5.2
     192.0       1.3
     193.0       1.2
     197.0       1.5
     199.0       7.5
     200.0       2.3
     201.0       9.7
     202.0       2.4
     203.0       2.1
     204.0       1.1
     205.0       2.6
     206.0       4.6
     207.0       1.3
     211.0       1.2
     212.0       1.5
     213.0       4.1
     214.0      23.9
     215.0      25.4
     216.0      40.2
     217.0      10.4
     218.0       2.1
     219.0       2.1
     225.0       2.8
     226.0       1.1
     227.0       2.8
     228.0       2.5
     229.0       2.9
     230.0       2.3
     231.0       3.1
     232.0      12.3
     233.0       5.8
     234.0      21.6
     235.0       3.9
     238.0       2.2
     239.0       1.6
     241.0       3.3
     243.0       6.7
     244.0       3.1
     245.0       3.6
     246.0       3.2
     247.0       2.3
     248.0       1.6
     256.0       7.1
     257.0       5.4
     258.0       3.1
     259.0      14.6
     260.0       3.6
     261.0      22.5
     262.0      10.9
     263.0       2.2
     271.0       1.2
     272.0       8.3
     273.0       2.3
     274.0      66.1
     275.0      63.5
     276.0      11.5
     277.0       1.4
     281.0       2.0
     285.0       1.2
     286.0       1.0
     289.0       1.0
     296.0       2.6
     299.0      13.7
     300.0       3.1
     303.0       1.3
     304.0       8.0
     305.0       1.7
     314.0      15.7
     315.0       4.2
     316.0       1.0
     317.0       5.4
     318.0       1.2
     332.0     100.0
     333.0      23.8
     334.0       3.3

in CDCl3