大豆皂苷II结构式

中文名称：大豆皂苷II
英文名称：Soyasaponin II
CAS No.：55319-36-3 分子式：C₄₇H₇₆O₁₇ 分子量：913.0962
了解价格行情：大豆皂苷II价格
如需查看该化合物的物化性质、别名、危化属性、合成路线等详细信息，可点击：55319-36-3
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大豆皂苷II 数据

Mol：

.2358   12.5624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5954   11.7771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5954   10.2071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0516   13.0335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2353   14.1338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0511   13.6628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8756   14.9188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5145   14.1336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5142   12.5621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8756   16.4888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2353   17.2738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2358   18.8452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5957   19.6299    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8751   19.6312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5142   18.8455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7291   20.2051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9442   18.8453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5145   17.2740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5950   18.0588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5950   16.4888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5950   14.9188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  4  2  1  6  0  0  0
  4  5  1  0  0  0  0
  5  6  1  1  0  0  0
  5  7  1  0  0  0  0
  7  8  1  6  0  0  0
  7  9  1  0  0  0  0
  9 10  1  1  0  0  0
 11 10  1  1  0  0  0
 11 12  1  0  0  0  0
 12 13  1  6  0  0  0
 14 13  1  1  0  0  0
 14 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
 17 19  1  0  0  0  0
 19 20  1  1  0  0  0
 19 21  1  0  0  0  0
 21 22  1  6  0  0  0
 21 23  1  0  0  0  0
 23 14  1  0  0  0  0
 12 24  1  0  0  0  0
 24 25  1  1  0  0  0
 24 26  1  0  0  0  0
 26 27  1  1  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 11  1  0  0  0  0
  9 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31  4  1  0  0  0  0
 30 32  1  6  0  0  0
 33 32  1  1  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 34 37  1  6  0  0  0
 34 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 33  1  0  0  0  0
 39 42  1  1  0  0  0
 39 43  1  0  0  0  0
 43 44  1  0  0  0  0
 44 45  1  0  0  0  0
 45 46  1  0  0  0  0
 38 46  1  1  0  0  0
 44 47  1  1  0  0  0
 44 48  1  0  0  0  0
 48 49  1  6  0  0  0
 48 50  1  0  0  0  0
 50 51  2  0  0  0  0
 51 52  1  0  0  0  0
 43 52  1  1  0  0  0
 50 53  1  0  0  0  0
 53 54  1  0  0  0  0
 54 55  1  0  0  0  0
 55 56  1  1  0  0  0
 55 57  1  0  0  0  0
 57 58  1  0  0  0  0
 58 59  1  0  0  0  0
 58 60  1  0  0  0  0
 58 61  1  0  0  0  0
 53 61  1  6  0  0  0
 54 62  1  1  0  0  0
 54 63  1  0  0  0  0
 63 64  1  0  0  0  0
 64 48  1  0  0  0  0
M  END

如需查看或获取完整mol文件，请关注官方微信公众号（微信搜一搜：Chem960），回复CAS号+“mol”（如回复：98-98-6 mol）免费获取。

大豆皂苷II Smile 编码: O(C1([H])C([H])(C([H])(C([H])(C([H])(C(=O)O[H])O1)O[H])O[H])OC1([H])C([H])(C([H])(C([H])(C([H])([H])O1)O[H])O[H])OC1([H])C([H])(C([H])(C([H])(C([H])(C([H])([H])[H])O1)O[H])O[H])O[H])C1([H])C([H])([H])C([H])([H])C2(C([H])([H])[H])C([H])(C([H])([H])C([H])([H])C3(C([H])([H])[H])C4(C([H])([H])[H])C([H])([H])C([H])([H])C5(C([H])([H])[H])C([H])(C([H])([H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])C5([H])C4=C([H])C([H])([H])C32[H])O[H])C1(C([H])([H])[H])C([H])([H])O[H]

大豆皂苷II InChi 编码: 1S/C47H76O17/c1-21-29(51)31(53)34(56)39(60-21)63-36-30(52)24(49)19-59-40(36)64-37-33(55)32(54)35(38(57)58)62-41(37)61-28-12-13-44(5)25(45(28,6)20-48)11-14-47(8)26(44)10-9-22-23-17-42(2,3)18-27(50)43(23,4)15-16-46(22,47)7/h9,21,23-37,39-41,48-56H,10-20H2,1-8H3,(H,57,58)

大豆皂苷II InChiKey 编码: IBZLICPLPYSFNZ-UHFFFAOYSA-N

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