红霉素结构式

中文名称:红霉素
英文名称:Erythromycin
CAS No.:114-07-8
分子式:C37H67NO13 分子量:733.9268
红霉素 数据
Mol:
  -1.4472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    3.0528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.0528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.4472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    3.0528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    1.5528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    0.0528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.0528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4282   -3.8132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    4.5528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4886    4.3720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    3.5528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -0.9472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.9472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.4472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -4.4472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    3.0528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -4.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 15  1  1  1  0  0  0
 22  1  1  1  0  0  0
 18  2  1  1  0  0  0
 23  2  1  6  0  0  0
 17  3  1  6  0  0  0
  4 22  1  0  0  0  0
  4 37  1  0  0  0  0
  5 23  1  0  0  0  0
  5 34  1  0  0  0  0
  6 38  1  0  0  0  0
  6 39  1  0  0  0  0
 24  7  1  6  0  0  0
  7 51  1  0  0  0  0
 26  8  1  6  0  0  0
 30  9  1  6  0  0  0
 32 10  1  6  0  0  0
 35 11  1  6  0  0  0
 12 36  2  0  0  0  0
 13 39  2  0  0  0  0
 28 14  1  1  0  0  0
 14 48  1  0  0  0  0
 14 49  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 25  1  1  0  0  0
 17 19  1  0  0  0  0
 17 29  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 39  1  0  0  0  0
 20 40  1  6  0  0  0
 21 36  1  0  0  0  0
 21 41  1  6  0  0  0
 22 26  1  0  0  0  0
 23 27  1  0  0  0  0
 24 27  1  0  0  0  0
 24 30  1  0  0  0  0
 24 42  1  0  0  0  0
 26 28  1  0  0  0  0
 28 33  1  0  0  0  0
 30 34  1  0  0  0  0
 31 35  1  0  0  0  0
 31 36  1  0  0  0  0
 31 43  1  6  0  0  0
 32 35  1  0  0  0  0
 32 38  1  0  0  0  0
 32 44  1  0  0  0  0
 33 37  1  0  0  0  0
 34 46  1  1  0  0  0
 37 47  1  1  0  0  0
 38 45  1  1  0  0  0
 45 50  1  0  0  0  0
M  END                                
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红霉素 Smile 编码:
O([C@H]1[C@@H]([C@H](C[C@@H](C)O1)N(C)C)O)[C@H]1[C@@](C)(C[C@@H](C)C([C@H](C)[C@H]([C@@](C)([C@@H](CC)OC([C@H](C)[C@H]([C@@H]1C)O[C@H]1C[C@](C)([C@H]([C@H](C)O1)O)OC)=O)O)O)=O)O
红霉素 InChi 编码:
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
红霉素 InChiKey 编码:
ULGZDMOVFRHVEP-RWJQBGPGSA-N