人参皂苷Rk3结构式

中文名称:人参皂苷Rk3
英文名称:Ginsenoside Rk3
CAS No.:364779-15-7
分子式:C36H60O8 分子量:620.8568
人参皂苷Rk3 数据
Mol:
.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1075   14.2287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4672   15.0137    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8268   14.2287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1865   15.0137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1865   16.5837    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5461   14.2287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9058   15.0137    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5461   12.6587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9058   11.8737    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1865   11.8737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1865   10.3037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8268    9.5187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8268   12.6587    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1075   12.6587    0.0000 C   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  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  9  7  1  6  0  0  0
 10  9  1  1  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13  9  1  0  0  0  0
 11 14  1  1  0  0  0
 11 15  1  0  0  0  0
 15 16  1  6  0  0  0
 15 17  1  0  0  0  0
 17 18  1  6  0  0  0
 18 19  1  0  0  0  0
 19 10  1  0  0  0  0
 19 20  1  6  0  0  0
 17 21  1  0  0  0  0
 21 22  1  6  0  0  0
 21 23  1  0  0  0  0
 23 24  1  6  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 24 27  1  0  0  0  0
 27 28  1  6  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 21  1  0  0  0  0
 23 31  1  0  0  0  0
 31 32  1  1  0  0  0
 33 32  1  1  0  0  0
 33 34  1  0  0  0  0
 34 35  1  6  0  0  0
 34 36  1  0  0  0  0
 36 37  1  1  0  0  0
 36 38  1  0  0  0  0
 38 39  1  6  0  0  0
 38 40  1  0  0  0  0
 40 41  1  1  0  0  0
 41 42  1  0  0  0  0
 40 43  1  0  0  0  0
 43 33  1  0  0  0  0
 31 44  1  0  0  0  0
 44 15  1  0  0  0  0
M  END                                
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人参皂苷Rk3 Smile 编码:
C/C(=C/CCC([C@H]1CC[C@]2([C@@]3(C[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H]4C([C@H](CC[C@]4(C)[C@H]3C[C@@H](O)[C@H]12)O)(C)C)C)C)=C)/C
人参皂苷Rk3 InChi 编码:
1S/C36H60O8/c1-19(2)10-9-11-20(3)21-12-15-35(7)27(21)22(38)16-25-34(6)14-13-26(39)33(4,5)31(34)23(17-36(25,35)8)43-32-30(42)29(41)28(40)24(18-37)44-32/h10,21-32,37-42H,3,9,11-18H2,1-2,4-8H3/t21-,22-,23+,24-,25-,26+,27+,28-,29+,30-,31+,32-,34-,35-,36-/m1/s1
人参皂苷Rk3 InChiKey 编码:
AVXFIVJSCUOFNT-QXPABTKOSA-N