473-98-3

白桦脂醇(473-98-3)Raman光谱

分子式:C30H50O2

分子量: 442.72

InChI:InChI=1/C30H50O2/c1-19(2)20-10-15-30(18-31)17-16-28(6)21(25(20)30)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h20-25,31-32H,1,8-18H2,2-7H3/t20-,21+,22-,23+,24-,25+,27-,28+,29+,30+/s3

InChIKey: FVWJYYTZTCVBKE-GVGMUTNNNA-N

Smiles:[C@]12([H])[C@H](C(=C)C)CC[C@]1(CO)CC[C@@]1(C)[C@]3(C)CC[C@@]4([H])C(C)(C)[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]21[H] |&1:0,2,8,13,15,19,24,28,30,34,r|

IR1

IR2

Raman

Mass

MS-NW-2414          
betulin
C30H50O2            (Mass of molecular ion:    442)

   Source Temperature: 240 °C
   Sample Temperature: 160 °C
   Direct, 75 eV

      16.0       1.1
      17.0      11.6
      18.0      57.7
      27.0       7.7
      28.0      24.3
      29.0      15.3
      30.0       1.2
      31.0       5.3
      32.0       5.6
      39.0       7.9
      40.0       2.3
      41.0      59.9
      42.0       4.0
      43.0      42.2
      44.0       9.6
      45.0       2.6
      51.0       1.6
      53.0      15.1
      54.0       2.5
      55.0      62.2
      56.0       4.0
      57.0      12.6
      59.0       2.2
      65.0       5.7
      66.0       2.2
      67.0      41.5
      68.0      14.4
      69.0      53.6
      70.0       4.6
      71.0      13.3
      72.0       1.5
      77.0      18.7
      78.0       4.3
      79.0      40.5
      80.0       9.3
      81.0      69.2
      82.0      13.2
      83.0      19.0
      84.0       2.3
      85.0       4.6
      86.0       1.1
      91.0      42.5
      92.0       9.5
      93.0      61.0
      94.0      21.7
      95.0      83.1
      96.0      13.6
      97.0      13.1
      98.0       2.0
      99.0       1.8
     103.0       3.1
     104.0       2.6
     105.0      50.2
     106.0      14.2
     107.0      60.2
     108.0      22.7
     109.0      49.9
     110.0       8.2
     111.0       8.9
     112.0       1.5
     113.0       1.4
     115.0       4.7
     116.0       2.4
     117.0      12.1
     118.0       6.6
     119.0      54.0
     120.0      22.4
     121.0      60.7
     122.0      22.2
     123.0      32.8
     124.0       6.5
     125.0       5.3
     126.0       2.2
     127.0       2.0
     128.0       4.2
     129.0       6.4
     130.0       3.7
     131.0      21.8
     132.0       9.6
     133.0      44.3
     134.0      36.6
     135.0      72.1
     136.0      41.9
     137.0      21.4
     138.0       6.2
     139.0       7.4
     140.0       1.6
     141.0       3.6
     142.0       3.1
     143.0       7.4
     144.0       4.0
     145.0      25.9
     146.0       9.5
     147.0      37.1
     148.0      17.3
     149.0      24.2
     150.0       8.7
     151.0       6.1
     152.0       6.3
     153.0       4.6
     154.0       2.1
     155.0       3.4
     156.0       2.3
     157.0       7.7
     158.0       4.3
     159.0      22.4
     160.0       8.8
     161.0      34.0
     162.0      10.7
     163.0      20.3
     164.0       4.4
     165.0       8.8
     166.0       2.8
     167.0       1.9
     168.0       1.4
     169.0       3.3
     170.0       1.7
     171.0       7.7
     172.0       3.7
     173.0      22.8
     174.0       8.9
     175.0      47.8
     176.0      12.3
     177.0      25.7
     178.0       6.6
     179.0       9.6
     180.0       3.2
     181.0       1.8
     182.0       1.2
     183.0       3.2
     184.0       2.4
     185.0       9.7
     186.0       4.9
     187.0      43.3
     188.0      16.6
     189.0     100.0
     190.0      38.5
     191.0      37.0
     192.0       8.0
     193.0       4.0
     194.0       1.1
     195.0       1.6
     196.0       1.0
     197.0       3.5
     198.0       2.5
     199.0       8.7
     200.0       5.5
     201.0      28.9
     202.0      23.0
     203.0      65.4
     204.0      21.9
     205.0      16.5
     206.0       8.6
     207.0      51.2
     208.0      14.0
     209.0       3.3
     211.0       2.2
     212.0       1.6
     213.0       6.1
     214.0       4.0
     215.0      13.3
     216.0      13.2
     217.0      12.4
     218.0       4.4
     219.0       7.5
     220.0      18.4
     221.0      10.7
     222.0       7.5
     223.0       2.6
     225.0       3.3
     226.0       1.2
     227.0      15.5
     228.0       3.8
     229.0      16.3
     230.0       4.3
     231.0       6.8
     232.0       2.4
     233.0      10.4
     234.0      22.0
     235.0       9.8
     236.0       1.9
     239.0       1.7
     241.0       2.7
     242.0       1.6
     243.0       3.4
     244.0       1.7
     245.0       7.3
     246.0       2.6
     247.0       5.4
     248.0       1.9
     253.0       2.1
     254.0       1.0
     255.0       4.1
     256.0       2.1
     257.0       6.0
     258.0       1.9
     259.0       2.2
     260.0       1.0
     261.0       1.3
     267.0       1.5
     268.0       1.1
     269.0       4.1
     270.0       2.5
     271.0       4.3
     272.0       1.6
     273.0       2.7
     274.0       1.3
     281.0       1.1
     283.0       1.4
     284.0       1.0
     285.0       1.1
     287.0       1.3
     288.0       4.4
     289.0       1.5
     295.0       1.3
     297.0       1.3
     299.0       1.5
     300.0       1.0
     311.0       1.0
     313.0       1.8
     315.0       1.3
     324.0       1.1
     337.0       1.8
     351.0       1.1
     355.0       1.1
     361.0       1.2
     363.0       9.3
     364.0       2.9
     379.0       1.0
     381.0       2.6
     385.0       2.9
     386.0       1.0
     391.0       3.0
     392.0       1.4
     393.0       3.2
     394.0       1.7
     399.0       2.5
     400.0       1.0
     404.0       1.3
     406.0       8.6
     407.0       3.0
     409.0       1.6
     411.0      10.7
     412.0       3.5
     424.0       4.0
     425.0       1.3
     427.0       1.5
     442.0       5.1
     443.0       1.7

KBr disc