15 epi eubol结构式

15 epi eubol
中文名称:15 epi eubol
英文名称:15-epi-eubol
CAS No.:1110699-33-6
分子式:C22H34O4 分子量:362.503
15 epi eubol 数据
Mol:
 0  0  0  0  0
    6.9039    2.6130    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4739    2.6128    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0499    4.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8350    3.3987    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6199    4.7584    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0496    6.3297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6196    6.3301    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8343    7.6896    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9691    7.1149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3991    7.1149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1841    5.7553    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9691    8.6849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6095    7.8999    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9297    9.8624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5700    9.0774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5700    7.5074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.5074    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5700    5.9374    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1400    7.5074    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2103    9.8624    0.0000 O   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
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
  5 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 13 17  1  0  0  0  0
 17  1  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
  1 21  1  0  0  0  0
 21 10  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 24 27  1  0  0  0  0
 23 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
 31 34  1  0  0  0  0
 30 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  1  0  0  0  0
 35 38  1  0  0  0  0
 38 39  1  0  0  0  0
 30 40  1  0  0  0  0
 40 41  1  0  0  0  0
 40 42  1  0  0  0  0
 40 43  1  0  0  0  0
 43 44  1  0  0  0  0
 43 45  1  0  0  0  0
 43 46  1  0  0  0  0
 46 23  1  0  0  0  0
 46 47  1  0  0  0  0
 46 48  1  0  0  0  0
 28 49  1  0  0  0  0
 49 50  1  0  0  0  0
 49 51  1  0  0  0  0
 49 52  1  0  0  0  0
 52  1  1  0  0  0  0
 52 53  1  0  0  0  0
 52 54  1  0  0  0  0
 54 55  1  0  0  0  0
 55 56  1  0  0  0  0
 56 57  1  0  0  0  0
 56 58  1  0  0  0  0
 56 59  1  0  0  0  0
 55 60  2  0  0  0  0
M  END                                
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15 epi eubol Smile 编码:
C123C(OC(=O)C([H])([H])[H])([H])C([H])([H])C4(C(C(C(C([H])([H])C4(C([H])([H])[H])C1([H])C([H])([H])C([H])([H])C(C(C2(O[H])[H])=C([H])[H])([H])C3([H])[H])([H])[H])([H])[H])(C(O[H])([H])[H])C([H])([H])[H])[H]
15 epi eubol InChi 编码:
InChI=1/C22H34O4/c1-13-15-6-7-16-21(4)9-5-8-20(3,12-23)17(21)10-18(26-14(2)24)22(16,11-15)19(13)25/h15-19,23,25H,1,5-12H2,2-4H3/t15-,16+,17-,18+,19-,20-,21+,22-/m1/s1
15 epi eubol InChiKey 编码:
MMPSMJLFQSNILL-PHGHRUFFSA-N