32986-56-4

妥布霉素(32986-56-4)核磁圖(¹³CNMR)

產(chǎn)品名稱:妥布霉素

分子式:C18H37N5O9

分子量: 467.52

InChI:InChI=1/C18H37N5O9/c19-3-9-8(25)2-7(22)17(29-9)31-15-5(20)1-6(21)16(14(15)28)32-18-13(27)11(23)12(26)10(4-24)30-18/h5-18,24-28H,1-4,19-23H2/t5-,6+,7+,8-,9+,10+,11-,12+,13+,14-,15+,16-,17+,18+/s3

InChIKey: NLVFBUXFDBBNBW-TYINOFMDNA-N

Smiles:O([C@]1([H])[C@@H]([C@@H](N)[C@H](O)[C@@H](CO)O1)O)[C@H]1[C@@H](C[C@H](N)[C@@H](O[C@]2([H])[C@@H](C[C@H](O)[C@@H](CN)O2)N)[C@@H]1O)N |&1:1,3,4,6,8,13,14,16,18,20,22,24,26,31,r|

Mass

MS2014-05044CW      
tobramycin
C18H37N5O9          (Mass of molecular ion:    467)

   Source Temperature: 250 °C
   Sample Temperature: 260 °C
   Direct, 70 eV

      15.0       5.9
      16.0      18.8
      17.0      24.4
      18.0      61.4
      19.0       3.3
      26.0       2.3
      27.0       8.5
      28.0      26.6
      29.0       9.7
      30.0      81.6
      31.0      12.1
      32.0       1.1
      37.0       1.0
      38.0       2.0
      39.0       9.9
      40.0       3.2
      41.0      21.4
      42.0      31.6
      43.0      44.2
      44.0      67.2
      45.0      15.8
      46.0       6.3
      50.0       2.0
      51.0       3.9
      52.0       5.8
      53.0       7.0
      54.0       8.3
      55.0       9.4
      56.0      40.4
      57.0      17.1
      58.0      21.9
      59.0      86.0
      60.0      49.6
      61.0       4.2
      63.0       1.8
      64.0       1.4
      65.0       5.9
      66.0       4.1
      67.0       7.2
      68.0      48.1
      69.0      20.1
      70.0      12.8
      71.0      80.9
      72.0      68.4
      73.0      14.0
      74.0      10.6
      75.0       1.8
      76.0       1.2
      77.0       2.0
      78.0       2.9
      79.0       5.5
      80.0      16.5
      81.0      10.1
      82.0      17.1
      83.0       8.8
      84.0      36.1
      85.0      20.6
      86.0      36.9
      87.0       6.2
      88.0      12.5
      89.0       1.9
      90.0       3.9
      91.0       3.6
      92.0       8.6
      93.0      10.7
      94.0       6.0
      95.0       4.0
      96.0       7.1
      97.0       7.0
      98.0      33.5
      99.0       7.6
     100.0       8.1
     101.0       6.7
     102.0      22.7
     103.0       3.8
     104.0       1.7
     105.0       1.2
     106.0       1.7
     107.0       4.3
     108.0       9.6
     109.0      24.0
     110.0      35.7
     111.0      11.0
     112.0       7.2
     113.0       3.2
     114.0       8.5
     115.0       2.7
     116.0       3.9
     117.0       1.7
     118.0      39.9
     119.0       4.1
     120.0      11.0
     121.0       3.6
     122.0       2.2
     123.0       2.0
     124.0       3.8
     125.0      16.8
     126.0      25.0
     127.0      16.9
     128.0      14.0
     129.0       6.7
     130.0      40.2
     131.0       4.5
     132.0       2.5
     133.0       2.9
     134.0       2.5
     135.0       2.5
     136.0       1.6
     137.0       1.5
     138.0       1.4
     139.0       1.5
     140.0       1.4
     141.0       1.2
     142.0       1.7
     143.0       9.4
     144.0      18.9
     145.0     100.0
     146.0      25.2
     147.0       3.8
     148.0       2.0
     149.0       1.6
     150.0       1.8
     151.0       2.2
     152.0       1.3
     153.0       1.1
     154.0       1.2
     155.0       1.9
     156.0       2.1
     157.0       1.6
     158.0       1.6
     159.0       1.6
     160.0       3.1
     161.0       3.7
     162.0      37.7
     163.0      40.0
     164.0       4.0
     165.0       1.1
     167.0       1.2
     168.0       1.3
     169.0       1.9
     170.0       1.4
     171.0       2.8
     172.0       2.3
     173.0      12.6
     174.0       2.6
     175.0       3.0
     176.0       1.3
     178.0       1.7
     179.0       1.0
     180.0       5.8
     181.0       1.3
     182.0       1.0
     183.0       1.3
     184.0       1.4
     185.0       2.3
     186.0       2.3
     187.0       4.8
     188.0       2.2
     189.0       1.9
     190.0       1.5
     191.0      35.0
     192.0       3.7
     193.0       1.2
     197.0       1.0
     198.0       1.0
     199.0       1.5
     200.0       1.6
     201.0       2.8
     202.0       2.5
     203.0      34.9
     204.0      24.4
     205.0       9.9
     206.0       1.6
     214.0       1.5
     215.0       1.6
     216.0       1.7
     217.0       2.3
     218.0       1.4
     219.0       3.2
     220.0       1.5
     221.0       1.8
     222.0       5.1
     223.0       1.1
     228.0       2.1
     229.0       1.2
     231.0       1.2
     232.0       7.5
     233.0       3.2
     234.0       1.3
     235.0       3.4
     236.0       1.3
     252.0       2.9
     253.0       1.2
     269.0       3.1
     270.0       1.3
     271.0       1.3
     274.0       3.0
     288.0       1.3
     289.0       1.4
     291.0       1.1
     306.0      10.0
     307.0       1.9
     324.0       4.1
     334.0       1.0
     352.0       1.7

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₈ H₃₇ N₅ O₉	0.039 g : 0.5 ml DMSO-d₆
tobramycin

    Assign.     Shift(ppm)

      A             4.878
      B             4.809
      C             3.748
      D     *1      3.577
      E     *1      3.42
      F             3.39
      G             3.38
      J             3.208
      K             3.118
      L     *2      3.00
      M     *2      2.99
      N             2.97
      P     *3      2.81
      Q             2.78
      R             2.74
      S          2.63 to 2.57
      T     *3      2.56
      U             1.79
      V             1.426
      W             1.024
     
     J(A,K)=3.8HZ
     J(B,R)=3.5HZ
     J(C,D)=2.1HZ
     J(C,E)=5.7HZ
     J(C,N)=9.9HZ
     J(D,E)=11.4HZ
     J(J,U)=4.4HZ
     J(K,Q)=9.9HZ
     J(P,T)=13.2HZ
     J(P,G)=3.3HZ
     J(Q,N)=9.7HZ
     J(T,G)=6.8HZ
     ASSIGNED BY H-H COSY.

     Hz     ppm     Int.

   1920.17   4.805    719
   1506.47   3.770    255
   1504.52   3.765    278
   1501.10   3.757    317
   1499.02   3.751    306
   1496.83   3.746    309
   1494.63   3.740    314
   1491.33   3.732    309
   1489.14   3.727    281
   1436.89   3.596    384
   1434.81   3.591    422
   1425.54   3.567    572
   1423.71   3.563    492
   1375.61   3.443    457
   1370.00   3.429    485
   1363.89   3.413    746
   1358.52   3.400    606
   1354.61   3.390   1000
   1348.75   3.375    445
   1345.46   3.367    723
   1342.04   3.359    337
   1294.80   3.240    292
   1290.41   3.229    299
   1283.94   3.213    393
   1280.52   3.205    364
   1279.54   3.202    365
   1274.41   3.189    277
   1269.78   3.178    264
   1253.05   3.136    526
   1249.51   3.127    492
   1243.16   3.111    569
   1239.50   3.102    575
   1208.86   3.025    456
   1201.54   3.007    625
   1199.46   3.002    880
   1196.66   2.995    672
   1192.75   2.985    863
   1190.06   2.978    679
   1187.13   2.971    913
   1183.84   2.963    553
   1177.37   2.947    553
   1131.23   2.831    415
   1127.93   2.823    466
   1118.04   2.798    970
   1115.23   2.791    565
   1108.28   2.774    815
   1102.17   2.758    371
   1098.63   2.749    713
   1094.36   2.739    350
   1092.04   2.733    264
   1089.72   2.727    349
   1085.82   2.717    439
   1081.79   2.707    321
   1062.26   2.658    292
   1058.59   2.649    302
   1050.29   2.629    419
   1049.93   2.628    418
   1049.44   2.626    415
   1046.51   2.619    410
   1044.80   2.615    406
   1040.65   2.604    466
   1032.96   2.585    731
   1028.56   2.574    459
   1028.32   2.574    459
   1026.12   2.568    594
   1020.02   2.553    566
   1013.18   2.536    427
   1007.20   2.521    189
   1006.10   2.518    183
   1003.17   2.511    171
   1002.56   2.509    169
   1001.71   2.507    168
   1001.22   2.506    168
   1000.98   2.505    168
    999.88   2.502    164
    733.76   1.837     70
    733.03   1.835     73
    726.56   1.818    207
    726.20   1.818    206
    722.05   1.807    422
    717.29   1.795    510
    713.13   1.785    400
    710.57   1.778    441
    708.74   1.774    406
    704.71   1.764    398
    695.56   1.741     75
    587.28   1.470    163
    575.56   1.441    370
    563.72   1.411    347
    552.00   1.382    137
    427.49   1.070    137
    415.28   1.040    330
    408.08   1.022     71
    402.95   1.009    323
    390.50   0.978    120

in CDCl3