硫酸诺尔丝菌素结构式

中文名称:硫酸诺尔丝菌素
英文名称:Nourseothricin sulfate
CAS No.:96736-11-7
分子式:C25H46N10O9.C19H34N8O8.H2O4S 分子量:1231.29488
硫酸诺尔丝菌素 数据
Mol:
  0  0  0  0  0  0  0  0  0
   19.0352    6.2800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.8042    5.1367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.4739    4.7100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.2428    6.7067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8202   11.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.0192    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4652   10.0571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.3742    1.3597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6756    2.3550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.4445    9.0617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3159    1.5700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.0848    9.8467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9563    2.3550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.7252    9.0617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8335    2.3550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   45.6024    9.0617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5966    1.5700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.3655    9.8467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2369    2.3550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.0059    9.0617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8773    1.5700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.6462    9.8467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1580    1.5700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7983    2.3550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4386    1.5700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0790    2.3550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7193    1.5700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3597    2.3550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  2  0  0  0  0
  1 22  2  0  0  0  0
  2 44  1  0  0  0  0
  2 49  1  0  0  0  0
  3 46  1  0  0  0  0
  3 50  1  0  0  0  0
  4 47  1  0  0  0  0
  4 71  1  0  0  0  0
  5 48  1  0  0  0  0
  5 72  1  0  0  0  0
  6 43  1  0  0  0  0
  7 45  1  0  0  0  0
  8 55  1  0  0  0  0
  9 56  1  0  0  0  0
 10 59  1  0  0  0  0
 11 60  1  0  0  0  0
 12 63  2  0  0  0  0
 13 64  2  0  0  0  0
 14 65  2  0  0  0  0
 15 66  2  0  0  0  0
 16 71  2  0  0  0  0
 17 72  2  0  0  0  0
 18 79  2  0  0  0  0
 23 44  1  0  0  0  0
 23 57  1  0  0  0  0
 24 46  1  0  0  0  0
 24 58  1  0  0  0  0
 25 51  1  0  0  0  0
 25 57  1  0  0  0  0
 26 52  1  0  0  0  0
 26 58  1  0  0  0  0
 27 41  1  0  0  0  0
 27 65  1  0  0  0  0
 28 42  1  0  0  0  0
 28 66  1  0  0  0  0
 29 53  1  0  0  0  0
 29 57  2  0  0  0  0
 30 54  1  0  0  0  0
 30 58  2  0  0  0  0
 31 61  1  0  0  0  0
 31 63  1  0  0  0  0
 32 62  1  0  0  0  0
 32 64  1  0  0  0  0
 33 69  1  0  0  0  0
 34 70  1  0  0  0  0
 35 71  1  0  0  0  0
 36 72  1  0  0  0  0
 37 77  1  0  0  0  0
 37 79  1  0  0  0  0
 38 78  1  0  0  0  0
 39 81  1  0  0  0  0
 40 84  1  0  0  0  0
 41 43  1  0  0  0  0
 41 44  1  0  0  0  0
 42 45  1  0  0  0  0
 42 46  1  0  0  0  0
 43 47  1  0  0  0  0
 45 48  1  0  0  0  0
 47 49  1  0  0  0  0
 48 50  1  0  0  0  0
 49 59  1  0  0  0  0
 50 60  1  0  0  0  0
 51 53  1  0  0  0  0
 51 55  1  0  0  0  0
 52 54  1  0  0  0  0
 52 56  1  0  0  0  0
 53 63  1  0  0  0  0
 54 64  1  0  0  0  0
 55 61  1  0  0  0  0
 56 62  1  0  0  0  0
 65 67  1  0  0  0  0
 66 68  1  0  0  0  0
 67 69  1  0  0  0  0
 68 70  1  0  0  0  0
 69 73  1  0  0  0  0
 70 74  1  0  0  0  0
 73 75  1  0  0  0  0
 74 76  1  0  0  0  0
 75 77  1  0  0  0  0
 76 78  1  0  0  0  0
 79 80  1  0  0  0  0
 80 81  1  0  0  0  0
 81 82  1  0  0  0  0
 82 83  1  0  0  0  0
 83 84  1  0  0  0  0
M  END                                
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硫酸诺尔丝菌素 Smile 编码:
S(=O)(=O)(O)O.O1C(CO)C(C(C(C1NC1=NC2C(NCC(C2N1)O)=O)NC(CC(CCCNC(CC(CCCN)N)=O)N)=O)O)OC(N)=O.O1C(CO)C(C(C(C1NC1=NC2C(NCC(C2N1)O)=O)NC(CC(CCCN)N)=O)O)OC(N)=O
硫酸诺尔丝菌素 InChi 编码:
InChI=1S/C25H46N10O9.C19H34N8O8.H2O4S/c26-5-1-3-11(27)7-15(38)30-6-2-4-12(28)8-16(39)32-19-20(40)21(44-24(29)42)14(10-36)43-23(19)35-25-33-17-13(37)9-31-22(41)18(17)34-25;20-3-1-2-7(21)4-10(30)24-13-14(31)15(35-18(22)33)9(6-28)34-17(13)27-19-25-11-8(29)5-23-16(32)12(11)26-19;1-5(2,3)4/h11-14,17-21,23,36-37,40H,1-10,26-28H2,(H2,29,42)(H,30,38)(H,31,41)(H,32,39)(H2,33,34,35);7-9,11-15,17,28-29,31H,1-6,20-21H2,(H2,22,33)(H,23,32)(H,24,30)(H2,25,26,27);(H2,1,2,3,4)
硫酸诺尔丝菌素 InChiKey 编码:
JSEMZITUHMRTKU-UHFFFAOYSA-N