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甘草酸结构式

甘草酸结构式图片|1405-86-3结构式图片 现货商城 点击进入 中文名称:甘草酸
英文名称:(2S,3R,4S,5R,6R)-6-[(2R,3R,4S,5S,6S)-2-[[(3S,6Ar,6bS,8aS,11S,12aS,14aS,14bS)-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-6-carboxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
CAS No.: 1405-86-3 分子式:C42H62O16 分子量:822.9321
了解价格行情:甘草酸价格 更多厂家:甘草酸厂家
如需查看该化合物的详细物理属性、别名、危化属性、合成路线等,可点击:1405-86-3

甘草酸 数据

Mol:

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    9.1530    2.3533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7932    3.1391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4338    3.9245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4341    5.4945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7937    6.2795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7936    7.8495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0738    3.1400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0733    1.5700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7134    0.7855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3540    1.5709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3545    3.1410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5700    4.5009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3555    5.8603    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.5014    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.7845    3.1415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0728    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4327    0.7845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7926    1.5691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
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M  CHG  1   1   1
M  CHG  1   2   1
M  CHG  1   3   1
M  CHG  1   6  -1
M  CHG  1  21  -1
M  CHG  1  55  -1
M  END

                                                    
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甘草酸 Smile 编码: O([C@@]1([H])[C@@]([H])([C@]([H])([C@@]([H])([C@@]([H])(C(=O)O[H])O1)O[H])O[H])O[C@@]1([H])[C@@]([H])([C@]([H])([C@]([H])([C@@]([H])(C(=O)O[H])O1)O[H])O[H])O[H])[C@@]1([H])C([H])([H])C([H])([H])[C@@]2(C([H])([H])[H])C([H])(C([H])([H])C([H])([H])[C@@]3(C([H])([H])[H])[C@]4(C([H])([H])[H])C([H])([H])C([H])([H])[C@@]5(C([H])([H])[H])C([H])([H])C([H])([H])[C@@](C(=O)O[H])(C([H])([H])[H])C([H])([H])[C@]5([H])C4=C([H])C([C@]32[H])=O)C1(C([H])([H])[H])C([H])([H])[H]

甘草酸 InChi 编码: 1S/C42H62O16/c1-37(2)21-8-11-42(7)31(20(43)16-18-19-17-39(4,36(53)54)13-12-38(19,3)14-15-41(18,42)6)40(21,5)10-9-22(37)55-35-30(26(47)25(46)29(57-35)33(51)52)58-34-27(48)23(44)24(45)28(56-34)32(49)50/h16,19,21-31,34-35,44-48H,8-15,17H2,1-7H3,(H,49,50)(H,51,52)(H,53,54)/t19-,21?,22+,23+,24-,25+,26+,27-,28+,29+,30-,31+,34+,35-,38-,39+,40+,41-,42-/m1/s1

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