NND-10034结构式

NND-10034
中文名称:NND-10034
英文名称:NND-10034
CAS No.:97690-89-6
分子式:C22H32O6 分子量:392.49
NND-10034 数据
Mol:
011   -3.3748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7772   -2.9921    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7112   -3.8559    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7414   -5.7805    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4362   -1.6474    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4363   -5.6524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3044   -5.1512    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3044   -4.1512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8044   -3.2851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8044   -3.2851    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8044   -5.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  8  3  1  0     0  0
  7  8  2  0     0  0
  5  6  2  0     0  0
  4  5  1  0     0  0
  1  4  1  0     0  0
  2  3  1  0     0  0
  1  2  1  0     0  0
  7  9  1  0     0  0
  9 10  2  0     0  0
 11 12  2  0     0  0
 12  6  1  0     0  0
 10 13  1  0     0  0
 13 14  1  0     0  0
 14 15  1  0     0  0
 15 16  1  0     0  0
 16 11  1  0     0  0
  3 17  1  1     0  0
  2 18  1  0     0  0
 18 19  1  6     0  0
 18 20  1  0     0  0
 20 21  1  0     0  0
  2 22  1  1     0  0
  4 23  2  0     0  0
 13 24  2  0     0  0
 16 25  1  1     0  0
 15 26  1  1     0  0
 15 27  1  0     0  0
 27 28  1  0     0  0
 28 29  1  0     0  0
 27 30  1  6     0  0
M  END                                
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NND-10034 Smile 编码:
O1[C@]([H])([C@H](CO)C)[C@@H](C)C=CC=CC(=O)O[C@@]([C@@H](C)CO)([H])[C@@H](C)C=CC=CC1=O
NND-10034 InChi 编码:
1S/C22H32O6/c1-15-9-5-7-11-20(26)28-22(18(4)14-24)16(2)10-6-8-12-19(25)27-21(15)17(3)13-23/h5-12,15-18,21-24H,13-14H2,1-4H3/b9-5-,10-6-,11-7-,12-8-/t15-,16-,17-,18-,21-,22-/m0/s1
NND-10034 InChiKey 编码:
BJKDBUCOMMKGPB-VJMNXBFSSA-N