INNYA-22112301结构式

INNYA-22112301
中文名称:INNYA-22112301
英文名称:INNYA-22112301
CAS No.:2803716-49-4
分子式:C25H28O11 分子量:504.48
INNYA-22112301 数据
Mol:
.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6530   -6.9353    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2287   -6.5672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2263   -5.3612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2299   -4.7903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3102   -3.8884    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2750   -5.3596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2582   -6.5163    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2499   -7.1060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4748   -8.7456    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2941   -8.2130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2302   -2.0578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3603   -4.8612    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 21  2  0  0  0  0
  2 24  2  0  0  0  0
  3  2  1  0  0  0  0
  3 23  2  0  0  0  0
  4  3  1  0  0  0  0
  5  6  1  0  0  0  0
  6 16  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  8 11  1  0  0  0  0
  9  8  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15  7  1  0  0  0  0
 17 18  1  0  0  0  0
 17 20  2  0  0  0  0
 18  5  2  0  0  0  0
 19 17  1  0  0  0  0
 21 22  1  0  0  0  0
 23  5  1  0  0  0  0
 24 18  1  0  0  0  0
 26 25  1  1  0  0  0
 26 27  1  0  0  0  0
 28 29  1  1  0  0  0
 28 30  1  0  0  0  0
 28 27  1  0  0  0  0
 30 31  1  0  0  0  0
 30  4  1  6  0  0  0
 31 32  1  0  0  0  0
 32 34  1  6  0  0  0
 32 26  1  0  0  0  0
 33 34  1  0  0  0  0
 35 10  1  0  0  0  0
 27 36  1  6     0  0
M  END                                
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INNYA-22112301 Smile 编码:
C(=C/C)\C1C(O[C@@H]2O[C@@H]([C@H]([C@H](O)[C@H]2O)O)CO)=CC(=C(C=1)C(C)=O)C(C1C=CC(O)=C(OC)C=1O)=O
INNYA-22112301 InChi 编码:
1S/C25H28O11/c1-4-5-12-8-14(11(2)27)15(19(29)13-6-7-16(28)24(34-3)20(13)30)9-17(12)35-25-23(33)22(32)21(31)18(10-26)36-25/h4-9,18,21-23,25-26,28,30-33H,10H2,1-3H3/b5-4+/t18-,21-,22+,23-,25-/m1/s1
INNYA-22112301 InChiKey 编码:
RTKOBRNMPTVMPC-NYHFPGAVSA-N
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