脱水淫羊霍素结构式

中文名称:脱水淫羊霍素
英文名称:β-Anhydroicaritin
CAS No.:38226-86-7
分子式:C21H20O6 分子量:368.3799
脱水淫羊霍素 数据
Mol:
  0
   10.8793    4.5021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5196    3.7171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5202    2.1457    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1594    1.3597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3745    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9445    0.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7985    2.1454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7988    3.7169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1599    4.5021    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  1  0  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 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15  9  2  0  0  0  0
 15 16  1  0  0  0  0
 12 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 20  1  0  0  0  0
 27 11  2  0  0  0  0
M  END                                
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脱水淫羊霍素 Smile 编码:
COC1=CC=C(C2=C(O)C(=O)C3=C(C=C4C(=C3O2)CCC(C)(C)O4)O)C=C1
脱水淫羊霍素 InChi 编码:
1S/C21H20O6/c1-21(2)9-8-13-15(27-21)10-14(22)16-17(23)18(24)19(26-20(13)16)11-4-6-12(25-3)7-5-11/h4-7,10,22,24H,8-9H2,1-3H3
脱水淫羊霍素 InChiKey 编码:
PPCHTBBOSVKORE-UHFFFAOYSA-N