利血平结构式

中文名称:利血平
英文名称:Reserpine
CAS No.:50-55-5
分子式:C33H40N2O9 分子量:608.6787
利血平 数据
Mol:
  0  0  0  0  0  0  0  0  0  0  0
    4.9686    7.0074    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6842    4.3030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3226    2.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3997    1.5986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0381    0.1642    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5995    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8383    1.7628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9154    0.4927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3540    0.6570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1998    3.1971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6385    3.3614    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.7957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1228    4.4672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4526    8.1141    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
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  3  2  0  0  0  0
  6  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11  5  1  0  0  0  0
 12 10  1  1  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15  9  1  0  0  0  0
 13 16  1  0  0  0  0
 17 16  1  6  0  0  0
 17 18  1  0  0  0  0
 18 19  1  6  0  0  0
 19 12  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  6  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 20 25  1  0  0  0  0
 25 26  1  1  0  0  0
 26 27  1  0  0  0  0
 25 28  1  0  0  0  0
 28 29  1  6  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 34 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 37 40  2  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 40 43  1  0  0  0  0
 43 32  2  0  0  0  0
 28 44  1  0  0  0  0
 44 17  1  0  0  0  0
M  END                                
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利血平 Smile 编码:
O(C([H])([H])[H])[C@@]1([H])[C@@]([H])(C([H])([H])[C@]2([H])C([H])([H])N3C([H])([H])C([H])([H])C4C5C([H])=C([H])C(=C([H])C=5N([H])C=4[C@@]3([H])C([H])([H])[C@]2([H])[C@]1([H])C(=O)OC([H])([H])[H])OC([H])([H])[H])OC(C1C([H])=C(C(=C(C=1[H])OC([H])([H])[H])OC([H])([H])[H])OC([H])([H])[H])=O
利血平 InChi 编码:
1S/C33H40N2O9/c1-38-19-7-8-20-21-9-10-35-16-18-13-27(44-32(36)17-11-25(39-2)30(41-4)26(12-17)40-3)31(42-5)28(33(37)43-6)22(18)15-24(35)29(21)34-23(20)14-19/h7-8,11-12,14,18,22,24,27-28,31,34H,9-10,13,15-16H2,1-6H3/t18-,22+,24-,27-,28+,31+/m1/s1
利血平 InChiKey 编码:
QEVHRUUCFGRFIF-MDEJGZGSSA-N
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