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126-07-8

(+)-灰黄霉素(126-07-8)核磁图(13CNMR)

产品名称:(+)-灰黄霉素

CAS:126-07-8

分子式:C17H17ClO6

分子量: 352.77

InChI:InChI=1/C17H17ClO6/c1-8-5-9(19)6-12(23-4)17(8)16(20)13-10(21-2)7-11(22-3)14(18)15(13)24-17/h6-8H,5H2,1-4H3/t8-,17+/s3

InChIKey: DDUHZTYCFQRHIY-ONINOZFXNA-N

Smiles:O=C1C2C(=CC(OC)=C(Cl)C=2O[C@@]21[C@@H](CC(=O)C=C2OC)C)OC |&1:12,13,r|

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    Mass

    MS-IW-1186          
    (+)-griseofulvin
    C17H17ClO6          (Mass of molecular ion:    352)
    

       Source Temperature: 220 °C
       Sample Temperature: 200 °C
       Direct, 75 eV
    

          15.0       4.2
          27.0       4.0
          28.0       1.1
          29.0       1.0
          39.0       7.6
          40.0       1.7
          41.0      10.0
          42.0       1.4
          43.0       3.6
          50.0       1.9
          51.0       4.7
          52.0       3.3
          53.0      10.6
          55.0       4.8
          59.0       7.4
          61.0       1.3
          62.0       2.2
          63.0       3.6
          64.0       1.7
          65.0       7.0
          66.0       4.8
          67.0       5.6
          68.0       1.2
          69.0      31.1
          70.0       1.3
          72.0       1.1
          73.0       2.2
          74.0       1.6
          75.0       4.6
          76.0       1.1
          77.0       8.6
          78.0       2.3
          79.0       3.9
          80.0       2.1
          81.0       1.1
          83.0       1.9
          84.0       2.1
          85.0       1.8
          86.0       1.1
          87.0       1.9
          89.0       1.9
          90.0       1.5
          91.0       1.6
          93.0       2.6
          94.0       1.2
          95.0       8.0
          96.0       2.4
          97.0       4.7
          98.0       1.3
          99.0       3.3
         100.0       1.6
         101.0       1.5
         102.0       1.2
         103.0       3.3
         105.0       1.7
         106.0       1.1
         107.0       1.4
         108.0       1.1
         109.0       6.0
         110.0       5.2
         111.0       2.1
         112.0       2.1
         113.0       2.2
         115.0       2.4
         117.0       1.0
         121.0       1.7
         123.0      10.3
         124.0       1.9
         125.0       3.2
         126.0       3.7
         127.0       5.6
         128.0       1.3
         129.0       3.0
         131.0       1.1
         133.0       2.4
         135.0       2.6
         136.0       1.3
         137.0       3.8
         138.0      81.9
         139.0       9.3
         140.0      17.8
         141.0       6.1
         142.0       7.2
         143.0       3.4
         144.0       1.1
         145.0       1.6
         149.0       1.5
         150.0       1.1
         151.0       1.6
         152.0       3.6
         153.0       2.2
         155.0       3.3
         156.0       2.2
         157.0       2.3
         158.0       1.0
         159.0       1.5
         161.0       1.1
         163.0       1.2
         164.0       1.8
         165.0       3.9
         166.0       1.0
         167.0       1.9
         168.0       7.9
         169.0       4.2
         170.0       4.1
         171.0      13.7
         172.0       3.5
         173.0       4.8
         174.0       1.4
         176.0       1.6
         177.0       1.1
         178.0       1.1
         179.0       2.6
         180.0       1.6
         181.0       2.2
         182.0       1.0
         183.0       3.9
         184.0       2.7
         185.0       4.1
         186.0       3.3
         187.0       2.2
         188.0       2.5
         189.0       1.2
         190.0       1.1
         193.0       1.4
         194.0       1.1
         195.0       1.7
         196.0       1.3
         197.0       9.0
         198.0       2.2
         199.0       4.6
         200.0       4.8
         201.0      13.8
         202.0       3.1
         203.0       5.1
         204.0       1.0
         205.0       1.1
         207.0       1.5
         208.0       1.3
         209.0       2.8
         210.0       1.8
         211.0       3.4
         212.0       1.5
         213.0       2.9
         214.0      55.4
         215.0      56.5
         216.0      24.0
         217.0      19.3
         218.0       2.6
         219.0       1.1
         221.0       2.2
         222.0       2.4
         223.0       3.4
         224.0       2.6
         225.0       6.1
         226.0       2.0
         227.0       2.8
         228.0       2.5
         229.0       1.5
         230.0       1.1
         234.0       5.6
         235.0       3.1
         236.0       5.7
         237.0       8.6
         238.0       3.9
         239.0      11.1
         240.0       4.0
         241.0       4.4
         242.0       1.8
         243.0       1.4
         249.0       2.4
         250.0       3.9
         251.0       5.2
         252.0       8.1
         253.0      14.2
         254.0      23.8
         255.0      10.5
         256.0       8.1
         257.0       3.2
         258.0       1.4
         259.0       1.0
         263.0       1.8
         264.0       1.3
         265.0       2.7
         266.0       4.5
         267.0      11.9
         268.0       3.9
         269.0       9.4
         270.0       1.8
         271.0       3.3
         273.0       1.2
         276.0       1.7
         277.0       2.5
         278.0       1.8
         279.0       2.6
         280.0       2.1
         281.0       5.4
         282.0      14.5
         283.0       8.5
         284.0      30.4
         285.0       6.6
         286.0       9.7
         287.0       3.3
         291.0       1.5
         292.0       1.6
         293.0       4.9
         294.0       2.0
         295.0       8.5
         296.0       1.9
         297.0       2.6
         305.0       1.3
         306.0       1.7
         307.0       1.5
         308.0       1.2
         309.0       5.1
         310.0      87.2
         311.0      22.4
         312.0      30.8
         313.0       7.3
         314.0       1.1
         317.0       1.8
         318.0       2.0
         319.0       1.6
         320.0       1.1
         321.0      49.6
         322.0      10.7
         323.0      19.5
         324.0       5.2
         325.0       1.6
         335.0       3.1
         336.0       1.1
         337.0      13.2
         338.0       2.6
         339.0       4.3
         351.0       1.0
         352.0     100.0
         353.0      20.2
         354.0      34.7
         355.0       6.6
         356.0       1.0
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C17 H17 Cl O6 saturated in CDCl3
    (+)-griseofulvin
    ChemicalStructure
        Assign.     Shift(ppm)
    A 6.151 B 5.542 C *1 4.041 D *1 3.988 E *1 3.623 F *2 3.025 G 2.844 J *2 2.430 K 0.964 J(F,J)=16.6HZ J(F,G)=13.4HZ J(G,J)=4.6HZ

         Hz     ppm     Int.
    

       2458.37   6.152    314
       2215.09   5.543    284
       1615.23   4.042   1000
       1594.12   3.989   1000
       1448.00   3.624    967
       1225.59   3.067     59
       1212.16   3.034     81
       1208.98   3.026     68
       1195.56   2.992     94
       1148.68   2.875     33
       1144.04   2.863     37
       1141.97   2.858     40
       1137.33   2.846     44
       1135.38   2.841     35
       1130.62   2.830     34
        981.57   2.457     69
        976.93   2.445     70
        964.97   2.415     65
        960.33   2.403     60
        388.79   0.973    419
        382.08   0.957    423
    

in CDCl3

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KBr disc

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nujol mull

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