硬脂酰胺C结构式

硬脂酰胺C
中文名称:硬脂酰胺C
英文名称:rigidiusculamide C
CAS No.:1196976-95-0
分子式:C18H23NO5 分子量:333.379
硬脂酰胺C 数据
Mol:
   0.0000    1.9334    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8621    0.7241    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7450    4.1219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2807    4.4483    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4185    5.6576    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2093    3.7955    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3978    1.0505    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2311    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9116    2.7494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7477    1.1879    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1819    1.8268    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6967    4.1101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2324    4.4365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2829    3.2697    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6248    8.1439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2651    8.9289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  1  6  1  0  0  0  0
  6  7  1  0  0  0  0
  1  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
 10 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
 20 21  4  0  0  0  0
 21 22  1  0  0  0  0
 21 23  4  0  0  0  0
 23 24  1  0  0  0  0
 23 25  4  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  1  0  0  0  0
 30 33  1  0  0  0  0
 29 34  1  0  0  0  0
 34 35  1  0  0  0  0
 34 36  1  0  0  0  0
 34 37  1  0  0  0  0
 29 38  1  0  0  0  0
 38 39  1  0  0  0  0
 27 40  1  0  0  0  0
 40 41  1  0  0  0  0
 40 42  1  0  0  0  0
 25 43  4  0  0  0  0
 43 40  1  0  0  0  0
 43 44  4  0  0  0  0
 44 20  4  0  0  0  0
 44 45  1  0  0  0  0
 15 46  1  0  0  0  0
 46  1  1  0  0  0  0
 46 47  2  0  0  0  0
M  END                                
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硬脂酰胺C Smile 编码:
C1(C(=O)C(C(c2c([H])c3C([H])([H])C(C(O[H])(C([H])([H])[H])C([H])([H])[H])([H])Oc3c([H])c2[H])([H])[H])([H])N(C([H])([H])[H])C1=O)(O[H])C([H])([H])[H]
硬脂酰胺C InChi 编码:
InChI=1/C18H23NO5/c1-17(2,22)14-9-11-7-10(5-6-13(11)24-14)8-12-15(20)18(3,23)16(21)19(12)4/h5-7,12,14,22-23H,8-9H2,1-4H3/t12-,14-,18-/m0/s1
硬脂酰胺C InChiKey 编码:
FSANWLZUMUEFDI-YEWDVWPNSA-N