472-15-1

白樺脂酸(472-15-1)Raman光譜

產(chǎn)品名稱:白樺脂酸

分子式:C30H48O3

分子量: 456.71

InChI:InChI=1/C30H48O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-24,31H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,23-,24+,27-,28+,29+,30-/s3

InChIKey: QGJZLNKBHJESQX-PBRZGMLFNA-N

Smiles:C([C@]12CC[C@@H](C(=C)C)[C@]1([H])[C@@]1([H])CC[C@]3([H])[C@]4(CC[C@H](O)C(C)(C)[C@]4([H])CC[C@@]3(C)[C@]1(C)CC2)C)(=O)O |&1:1,4,8,10,14,16,19,24,28,30,r|

¹HNMR

IR1

Raman

Mass

MS-IW-3144          
3beta-hydroxy-20(29)-lupen-28-oic acid
C30H48O3            (Mass of molecular ion:    456)

   Source Temperature: 170 °C
   Sample Temperature: 180 °C
   Direct, 75 eV

      17.0       4.3
      18.0      22.7
      27.0       2.3
      28.0       1.6
      29.0       7.2
      31.0       1.0
      39.0       3.0
      40.0       1.2
      41.0      31.5
      42.0       2.3
      43.0      37.8
      44.0       5.2
      45.0       6.0
      53.0       8.5
      54.0       2.0
      55.0      43.2
      56.0       3.4
      57.0      13.6
      58.0       1.1
      59.0       2.6
      65.0       3.1
      66.0       1.2
      67.0      31.8
      68.0      10.4
      69.0      46.9
      70.0       3.9
      71.0      15.7
      72.0       1.8
      73.0       1.3
      75.0       1.6
      77.0       9.4
      78.0       2.5
      79.0      27.3
      80.0       8.3
      81.0      53.3
      82.0      14.2
      83.0      19.9
      84.0       2.5
      85.0       5.3
      86.0       1.0
      91.0      23.1
      92.0       5.4
      93.0      41.2
      94.0      17.3
      95.0      50.6
      96.0      12.6
      97.0      11.7
      98.0       1.9
      99.0       2.0
     103.0       1.6
     104.0       1.3
     105.0      32.1
     106.0       8.6
     107.0      41.4
     108.0      15.8
     109.0      30.9
     110.0       7.2
     111.0       8.4
     112.0       1.4
     113.0       1.1
     114.0       1.0
     115.0       2.1
     116.0       1.2
     117.0       6.1
     118.0       2.9
     119.0      40.4
     120.0      17.0
     121.0      39.4
     122.0      19.4
     123.0      30.6
     124.0       4.8
     125.0       4.4
     126.0       1.9
     127.0       1.8
     128.0       2.4
     129.0       3.2
     130.0       1.6
     131.0      13.0
     132.0       5.8
     133.0      27.2
     134.0      18.8
     135.0      47.3
     136.0      37.6
     137.0      15.4
     138.0       3.5
     139.0       8.1
     140.0       1.8
     141.0       2.0
     142.0       1.2
     143.0       3.4
     144.0       2.1
     145.0      13.2
     146.0       5.4
     147.0      24.9
     148.0      12.7
     149.0      16.4
     150.0       5.3
     151.0       7.9
     152.0      11.3
     153.0       6.9
     154.0       3.6
     155.0       2.0
     156.0       1.1
     157.0       3.3
     158.0       1.6
     159.0      11.5
     160.0       4.6
     161.0      19.8
     162.0       7.2
     163.0      12.8
     164.0       4.2
     165.0       4.8
     166.0       6.0
     167.0       2.4
     168.0       1.3
     169.0       1.4
     170.0       1.1
     171.0       4.0
     172.0       1.6
     173.0      15.9
     174.0       5.3
     175.0      31.8
     176.0      10.2
     177.0      18.4
     178.0       6.1
     179.0       6.7
     180.0       1.5
     181.0       1.8
     183.0       1.2
     185.0       4.9
     186.0       2.2
     187.0      28.3
     188.0      12.4
     189.0     100.0
     190.0      41.0
     191.0      28.5
     192.0       7.3
     193.0       7.4
     194.0       1.6
     196.0       1.5
     197.0       1.3
     199.0       3.8
     200.0       1.8
     201.0      16.3
     202.0      12.8
     203.0      32.8
     204.0      17.4
     205.0      15.9
     206.0      15.2
     207.0      64.4
     208.0      21.6
     209.0       3.8
     213.0       3.9
     214.0       1.5
     215.0       9.1
     216.0       6.6
     217.0       6.6
     218.0       3.6
     219.0      21.5
     220.0      33.3
     221.0      15.7
     222.0       6.9
     223.0       2.5
     227.0       2.2
     229.0       3.3
     230.0       1.7
     231.0       4.2
     232.0       3.1
     233.0      14.8
     234.0      30.0
     235.0      12.7
     236.0       8.9
     237.0       1.7
     241.0       3.0
     243.0       3.0
     244.0       1.0
     245.0       2.8
     246.0       3.3
     247.0       6.7
     248.0      56.0
     249.0      13.2
     250.0       2.3
     255.0       2.4
     256.0       1.8
     257.0       5.2
     258.0       1.9
     259.0       7.4
     260.0       2.8
     261.0       2.6
     262.0       1.1
     269.0       1.8
     270.0       1.1
     271.0       2.7
     272.0       1.0
     273.0       2.4
     274.0       1.4
     275.0       1.1
     276.0       1.0
     283.0       1.1
     285.0       1.6
     287.0       3.7
     288.0       2.1
     289.0       1.0
     299.0       1.0
     300.0       3.3
     301.0       2.9
     302.0       8.2
     303.0       2.8
     304.0       1.0
     314.0       1.4
     315.0       1.7
     316.0       5.9
     317.0       2.2
     327.0       1.4
     328.0       1.1
     329.0       1.3
     349.0       1.0
     355.0       1.3
     356.0       1.9
     367.0       1.5
     368.0       1.1
     369.0       2.2
     370.0       1.7
     377.0       2.0
     382.0       1.3
     393.0       1.8
     394.0       1.1
     395.0       7.6
     396.0       2.3
     397.0       1.0
     410.0       7.3
     411.0       6.1
     412.0       3.7
     413.0       1.8
     423.0       9.1
     424.0       3.3
     438.0      17.9
     439.0       5.7
     440.0       1.5
     441.0       5.5
     442.0       2.1
     456.0      53.4
     457.0      18.2
     458.0       3.0