114-07-8

红霉素(114-07-8)红外图谱(IR1)

分子式:C37H67NO13

分子量: 733.93

InChI:InChI=1S/C37H67NO13/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3/t18-,19-,20+,21+,22-,23+,24+,25-,26+,28-,29+,30-,31+,32-,34+,35-,36-,37-/m1/s1

InChIKey: ULGZDMOVFRHVEP-RWJQBGPGSA-N

Smiles:[C@]1([C@H](OC([C@@H]([C@H]([C@H](C)[C@H]([C@@](O)(C)C[C@@H](C)C([C@H](C)[C@H]1O)=O)O[C@@H]1O[C@@H](C[C@@H]([C@H]1O)N(C)C)C)O[C@@H]1O[C@@H](C)[C@H](O)[C@](OC)(C1)C)C)=O)CC)(C)O

IR1

IR2

Mass

MS2008-03834CW      
(-)-erythromycin
C37H67NO13          (Mass of molecular ion:    681)

   Source Temperature: 250 °C
   Sample Temperature:  50 °C
   Direct, 70 eV
   comment: Thermal decomposition perhaps happened.

      29.0       1.0
      41.0       2.9
      43.0       6.8
      44.0       1.4
      45.0       3.5
      46.0       5.3
      55.0       1.9
      57.0       3.2
      58.0       2.5
      59.0       1.8
      69.0       2.4
      70.0       1.3
      71.0      10.3
      72.0      10.2
      73.0       2.2
      74.0       1.3
      81.0       1.2
      83.0      12.1
      84.0       6.1
      85.0       2.8
      86.0       2.2
      87.0       8.0
      88.0       2.7
      89.0       1.2
      97.0       3.0
      98.0      16.6
      99.0      13.9
     100.0       8.5
     101.0       4.4
     109.0       3.3
     111.0       1.0
     113.0       2.7
     114.0       5.2
     115.0      18.5
     116.0      28.2
     117.0       2.0
     121.0       1.0
     123.0       4.8
     124.0       1.8
     125.0      10.1
     126.0       1.3
     127.0      10.7
     128.0       1.8
     137.0       5.1
     140.0       2.4
     141.0       2.0
     142.0       5.3
     143.0       1.8
     144.0       1.9
     155.0       1.0
     156.0       1.5
     157.0       1.0
     158.0     100.0
     159.0      24.2
     160.0       2.5
     174.0      17.0
     175.0       4.7
     176.0       2.6
     181.0       1.1
     195.0       1.0
     216.0       2.1
     221.0       1.0
     239.0       1.0
     365.0       1.6
     370.0       1.4
     382.0       1.0
     383.0       1.3
     556.0       1.1
     557.0       1.6
     558.0       1.7
     574.0       1.1
     584.0       1.0
     602.0       1.3
     648.0       1.0
     657.0       1.3
     715.0       4.1
     716.0       2.0

KBr disc