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470-37-1

蟾酥(470-37-1)红外图谱(IR2)

产品名称:蟾酥

CAS:470-37-1

分子式:C26H34O6

分子量: 442.55

InChI:InChI=1/C26H34O6/c1-14(27)31-22-21(15-4-7-20(29)30-13-15)25(3)11-9-18-19(26(25)23(22)32-26)6-5-16-12-17(28)8-10-24(16,18)2/h4,7,13,16-19,21-23,28H,5-6,8-12H2,1-3H3/t16-,17+,18+,19-,21+,22-,23-,24+,25-,26-/s3

InChIKey: SCULJPGYOQQXTK-QZXYOKJUNA-N

Smiles:C[C@]12CC[C@]3([H])[C@]4(CC[C@H](O)C[C@@]4([H])CC[C@@]3([H])[C@@]31O[C@@H]3[C@H](OC(=O)C)[C@@H]2C1=COC(=O)C=C1)C |&1:1,4,6,9,12,16,18,20,21,26,r|

  • 图谱
    Mass

    MS-IW-3187          
    16beta-acetoxy-14,15beta-epoxy-3beta-hydroxy-5beta,14beta-bufa-20,22-dienolide
    C26H34O6            (Mass of molecular ion:    442)
    

       Source Temperature: 180 °C
       Sample Temperature: 200 °C
       Direct, 75 eV
    

          15.0       1.2
          27.0       2.7
          28.0       3.3
          29.0       7.4
          31.0       1.2
          39.0       4.9
          41.0      25.7
          42.0       1.9
          43.0      87.2
          44.0       4.6
          45.0       1.9
          51.0       2.3
          52.0       1.3
          53.0      11.8
          54.0       2.1
          55.0      33.3
          56.0       1.9
          57.0       7.6
          60.0       1.2
          65.0       7.4
          66.0       2.9
          67.0      28.0
          68.0       3.8
          69.0      14.6
          70.0       1.6
          71.0       5.3
          77.0      20.1
          78.0       5.8
          79.0      34.2
          80.0       6.5
          81.0      41.9
          82.0       6.8
          83.0       8.1
          84.0       1.5
          85.0       2.8
          91.0      38.6
          92.0       7.8
          93.0      38.5
          94.0       9.6
          95.0      47.4
          96.0       6.1
          97.0       7.2
          98.0       1.0
          99.0       1.0
         103.0       3.7
         104.0       2.7
         105.0      44.8
         106.0      16.0
         107.0      74.1
         108.0      33.5
         109.0      34.2
         110.0       9.7
         111.0       5.6
         112.0       1.2
         115.0       5.7
         116.0       2.9
         117.0      11.2
         118.0       6.1
         119.0      24.9
         120.0      11.8
         121.0      35.4
         122.0      10.0
         123.0      13.9
         124.0      11.0
         125.0       8.7
         126.0       2.0
         127.0       1.9
         128.0       5.3
         129.0       8.7
         130.0       4.9
         131.0      20.8
         132.0       7.6
         133.0      25.3
         134.0      12.3
         135.0      17.6
         136.0       4.9
         137.0       7.3
         138.0      10.6
         139.0       4.3
         140.0       1.0
         141.0       4.1
         142.0       3.6
         143.0      10.1
         144.0       6.5
         145.0      24.5
         146.0       9.7
         147.0      28.6
         148.0      11.4
         149.0      15.5
         150.0       5.6
         151.0      84.6
         152.0      13.0
         153.0       4.2
         154.0       2.1
         155.0       5.0
         156.0       3.4
         157.0      11.8
         158.0       9.3
         159.0      23.7
         160.0      16.1
         161.0      25.8
         162.0       9.0
         163.0       7.1
         164.0       2.9
         165.0       7.0
         166.0       3.1
         167.0       6.6
         168.0       3.4
         169.0       5.9
         170.0       3.2
         171.0       9.2
         172.0       5.1
         173.0      16.0
         174.0      11.0
         175.0      14.0
         176.0       7.0
         177.0       7.7
         178.0       4.4
         179.0       3.0
         180.0       1.8
         181.0       4.7
         182.0       2.7
         183.0       7.0
         184.0       4.0
         185.0       9.5
         186.0       5.8
         187.0      14.0
         188.0       5.6
         189.0       6.2
         190.0       9.1
         191.0       9.0
         192.0       3.4
         193.0      11.0
         194.0       2.5
         195.0       4.5
         196.0       2.5
         197.0       7.6
         198.0       5.2
         199.0      11.5
         200.0       5.1
         201.0      10.4
         202.0      12.7
         203.0      17.5
         204.0       9.4
         205.0       6.2
         206.0       3.9
         207.0       4.6
         208.0       1.7
         209.0       4.7
         210.0       3.6
         211.0      10.3
         212.0       7.1
         213.0      15.5
         214.0      10.1
         215.0      65.6
         216.0      37.0
         217.0      11.4
         218.0       2.9
         219.0       4.2
         220.0       2.3
         221.0       2.4
         222.0       1.3
         223.0       3.7
         224.0       2.3
         225.0       5.9
         226.0       6.9
         227.0       9.1
         228.0       6.8
         229.0       9.4
         230.0       5.1
         231.0       6.8
         232.0       6.0
         233.0      71.8
         234.0      18.6
         235.0       4.3
         236.0       1.7
         237.0       3.6
         238.0       4.5
         239.0       9.4
         240.0       6.3
         241.0       8.3
         242.0       3.8
         243.0       5.2
         244.0       4.8
         245.0       5.3
         246.0       1.8
         247.0       1.6
         248.0       1.4
         249.0       2.4
         250.0      35.9
         251.0       8.9
         252.0       3.6
         253.0       5.4
         254.0       4.0
         255.0       5.2
         256.0      11.8
         257.0      14.2
         258.0       5.4
         259.0       3.4
         260.0       1.0
         261.0       1.4
         263.0       2.0
         264.0       1.2
         265.0       1.6
         266.0       1.1
         267.0       1.8
         268.0       2.2
         269.0       3.6
         270.0       3.8
         271.0       3.5
         272.0       1.7
         273.0       1.8
         274.0       1.4
         275.0       1.9
         276.0       1.2
         277.0       1.7
         278.0       1.0
         279.0       1.8
         281.0       2.0
         282.0       1.8
         283.0       1.4
         284.0       1.1
         287.0       1.0
         288.0       1.0
         289.0       1.4
         290.0       1.0
         291.0       2.0
         292.0       1.4
         293.0       1.8
         294.0       1.4
         295.0       2.0
         296.0       1.2
         297.0       1.8
         303.0       1.4
         304.0       1.0
         305.0       2.0
         307.0       2.3
         308.0       2.0
         309.0       2.2
         310.0       2.2
         311.0       1.2
         312.0       1.1
         317.0       1.0
         318.0       3.2
         319.0       4.7
         320.0       2.4
         321.0       4.6
         322.0       2.5
         323.0       3.2
         324.0       1.3
         325.0       1.7
         331.0       3.3
         335.0       4.4
         336.0      12.3
         337.0       5.1
         338.0       3.3
         339.0       2.5
         340.0       1.7
         341.0       1.1
         346.0       5.1
         347.0       2.9
         349.0      12.8
         350.0       3.3
         353.0       3.3
         354.0       5.5
         355.0       1.8
         364.0      39.3
         365.0      11.7
         366.0       2.8
         367.0      10.7
         368.0       2.9
         382.0     100.0
         383.0      27.6
         384.0       5.0
         385.0       1.3
         399.0       3.2
         400.0      12.9
         401.0       3.5
         424.0       1.1
         442.0       8.2
         443.0       3.5
    

KBr disc

  • 图谱

nujol mull

  • 图谱

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