柴胡皂甙元 D结构式

柴胡皂甙元 D
中文名称:柴胡皂甙元 D
英文名称:Saikogenin D
CAS No.:5573-16-0
分子式:C30H48O4 分子量:472.6997
柴胡皂甙元 D 数据
Mol:
0  0  0  0  0  0  0  0
    5.7847    0.9487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2605    1.5009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7572    0.6368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9312   -2.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9478    0.0059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9999   -0.5220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9916   -1.6070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8589   -2.5998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5100    0.3497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5105    1.7486    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0080    0.5668    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 17  1  1  6     0  0
 23  2  1  1     0  0
  3 26  1  0     0  0
  4 32  1  0     0  0
  5  7  1  0     0  0
  5  9  1  0     0  0
  5 10  1  0     0  0
  5 18  1  6     0  0
  6  7  1  0     0  0
  6  8  1  0     0  0
  6 13  1  0     0  0
  6 22  1  6     0  0
  7 19  1  0     0  0
  7 35  1  1     0  0
  8 11  1  0     0  0
  8 12  1  0     0  0
  8 36  1  1     0  0
  9 14  1  0     0  0
  9 15  1  0     0  0
  9 24  1  1     0  0
 10 12  1  0     0  0
 11 17  1  0     0  0
 11 26  1  0     0  0
 11 27  1  6     0  0
 13 20  1  0     0  0
 14 21  2  0     0  0
 14 25  1  0     0  0
 15 23  1  0     0  0
 16 21  1  0     0  0
 16 23  1  0     0  0
 16 28  1  0     0  0
 16 32  1  6     0  0
 17 20  1  0     0  0
 19 25  2  0     0  0
 21 29  1  0     0  0
 28 31  1  0     0  0
 29 30  1  0     0  0
 30 31  1  0     0  0
 30 33  1  0     0  0
 30 34  1  0     0  0
M  END                                
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柴胡皂甙元 D Smile 编码:
O[C@H]1CC[C@@]2(C)[C@@]([H])(CC[C@@]3(C)[C@]4(C)C[C@H]([C@@]5(CO)CCC(C)(C)CC5=C4C=C[C@@]32[H])O)[C@]1(C)CO
柴胡皂甙元 D InChi 编码:
1S/C30H48O4/c1-25(2)13-14-30(18-32)20(15-25)19-7-8-22-26(3)11-10-23(33)27(4,17-31)21(26)9-12-28(22,5)29(19,6)16-24(30)34/h7-8,21-24,31-34H,9-18H2,1-6H3/t21-,22-,23+,24-,26+,27+,28-,29-,30-/m1/s1
柴胡皂甙元 D InChiKey 编码:
QGNVMEXLLPGQEV-IULQVHCXSA-N