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网站主页CAS数据库列表 467-55-0更多图谱海柯吉宁(467-55-0)质谱(MS)

海柯吉宁

产品名称 海柯吉宁

CAS号467-55-0

分子式C27H42O4

分子量430.62

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  • Mass

    MS-NW-2420          
    (25R)-3beta-hydroxy-5alpha-spirostan-12-one
    C27H42O4            (Mass of molecular ion:    430)
    

       Source Temperature: 250 °C
       Sample Temperature: 170 °C
       Direct, 75 eV
    

          18.0       4.3
          27.0       1.4
          28.0       1.0
          29.0       3.6
          39.0       1.9
          41.0      11.0
          42.0       2.4
          43.0       7.7
          53.0       2.6
          55.0      11.6
          56.0       1.6
          57.0       4.2
          65.0       1.0
          67.0       6.0
          68.0       1.4
          69.0      11.6
          70.0       1.6
          71.0       1.1
          77.0       2.8
          79.0       5.9
          80.0       1.3
          81.0       7.3
          82.0       1.1
          83.0       2.1
          85.0       1.6
          91.0       5.9
          92.0       1.1
          93.0       7.5
          94.0       1.7
          95.0       5.5
          96.0       1.3
          97.0       3.5
          99.0       3.8
         105.0       4.8
         106.0       1.6
         107.0       7.3
         108.0       5.0
         109.0       8.8
         110.0       2.1
         111.0       1.7
         115.0       3.5
         117.0       1.3
         119.0       3.8
         120.0       1.4
         121.0       4.6
         122.0       3.8
         123.0       2.9
         124.0       2.7
         125.0       2.1
         126.0      32.6
         127.0       3.2
         131.0       1.8
         133.0       2.7
         134.0       2.0
         135.0       3.1
         136.0       4.8
         137.0       2.8
         138.0       1.3
         139.0     100.0
         140.0      11.4
         141.0       1.1
         143.0       1.1
         144.0       1.2
         145.0       2.1
         147.0       5.0
         148.0       1.4
         149.0       1.8
         150.0       1.0
         151.0       1.2
         157.0       1.1
         159.0       2.0
         160.0       1.0
         161.0       2.1
         163.0       1.9
         165.0       2.8
         166.0       1.1
         167.0       3.1
         171.0       1.0
         172.0       1.2
         173.0       2.2
         175.0       1.5
         181.0       1.5
         187.0       1.0
         193.0       1.1
         196.0       1.2
         209.0       1.2
         221.0       1.0
         255.0       1.3
         271.0       1.4
         273.0       7.4
         274.0       1.5
         287.0       1.5
         288.0       1.2
         298.0       1.3
         314.0       1.0
         315.0       1.1
         316.0       7.5
         317.0       3.4
         343.0       1.2
         358.0       2.6
         430.0       2.0
    

400 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C27 H42 O4 saturated in CDCl3
    (25R)-3beta-hydroxy-5alpha-spirostan-12-one
    ChemicalStructure
        Assign.     Shift(ppm)
    A 4.340 B 3.598 C 3.487 D 3.348 E 2.513 F *1 2.400 G *1 2.226 J 2.114 K 1.91 L 1.77 P 1.061 Q 1.047 R 0.902 S 0.790 PARTIALLY ASSIGNED BY C-H COSY.

         Hz     ppm     Int.
    

       1746.34   4.370     30
       1740.36   4.355     45
       1739.01   4.352     61
       1733.03   4.337     60
       1730.35   4.330     59
       1724.37   4.315     43
       1437.38   3.597     49
       1398.07   3.499     43
       1391.48   3.482     59
       1348.75   3.375     86
       1337.77   3.348    143
       1326.90   3.321     63
       1012.33   2.534     90
       1005.49   2.516    103
       1003.54   2.512    100
        996.83   2.495     92
        974.61   2.439     60
        960.45   2.404    106
        947.14   2.370     90
        898.19   2.248     86
        893.19   2.235     89
        883.91   2.212     62
        878.91   2.200     61
        852.05   2.132     48
        848.63   2.124     30
        845.46   2.116     79
        842.16   2.108     38
        841.19   2.105     38
        838.13   2.098     52
        770.14   1.928     36
        766.60   1.919     41
        759.16   1.900     41
        755.49   1.891     42
        734.38   1.838     41
        733.76   1.837     41
        732.79   1.834     41
        731.08   1.830     44
        730.10   1.827     42
        728.03   1.822     38
        727.17   1.820     38
        719.85   1.802     96
        716.80   1.794     95
        713.01   1.785     89
        707.03   1.770    511
        699.46   1.751    142
        692.50   1.733     88
        689.82   1.727     46
        685.67   1.716     65
        653.69   1.636    177
        579.83   1.451    160
        540.16   1.352    147
        532.59   1.333     52
        527.95   1.322    103
        516.85   1.294     89
        504.39   1.263     48
        457.52   1.145     68
        452.64   1.133     81
        446.66   1.118     84
        444.70   1.113    101
        441.89   1.106     85
        439.33   1.100     79
        433.84   1.086     94
        431.40   1.080     85
        427.73   1.071    573
        420.65   1.053    641
        418.70   1.048   1000
        395.63   0.990     72
        391.72   0.981     74
        386.72   0.968     67
        379.76   0.951     70
        360.72   0.903    932
        318.97   0.799    474
        312.62   0.783    450
    

in CDCl3



KBr disc



nujol mull



4880 A,200 M,powder