
 32388-55-9

 44 46  0  0  0  0  0  0  0  0999 V2000
    0.8097    0.4366    0.1810 C   0  0  0  0  0
    2.3096    0.1795    0.1718 C   0  0  0  0  0
    3.0519    1.1003    1.1473 C   0  0  0  0  0
    4.4206    0.4439    1.2647 C   0  0  0  0  0
    4.0709   -1.0350    1.4274 C   0  0  0  0  0
    2.7820   -1.2438    0.5587 C   0  0  0  0  0
    3.2919   -2.0701   -0.6315 C   0  0  0  0  0
    4.2134   -3.0693    0.0933 C   0  0  0  0  0
    5.0968   -2.1165    0.9688 C   0  0  0  0  0
    6.2609   -1.5642    0.1186 C   0  0  0  0  0
    5.7364   -2.8042    2.1890 C   0  0  0  0  0
    3.3462   -4.0231    0.9226 C   0  0  0  0  0
    2.2240   -3.5515    1.5146 C   0  0  0  0  0
    1.7547   -2.1208    1.3218 C   0  0  0  0  0
    1.3235   -4.3722    2.3819 C   0  0  0  0  0
    0.1078   -4.3480    2.1961 O   0  0  0  0  0
    1.9233   -5.1472    3.5269 C   0  0  0  0  0
    3.8207   -5.4504    0.9472 C   0  0  0  0  0
    0.2972   -0.2248   -0.5248 H   0  0  0  0  0
    0.5985    1.4687   -0.1191 H   0  0  0  0  0
    0.3754    0.2893    1.1750 H   0  0  0  0  0
    2.6702    0.4125   -0.8397 H   0  0  0  0  0
    3.1224    2.1260    0.7722 H   0  0  0  0  0
    2.5549    1.1254    2.1248 H   0  0  0  0  0
    4.9892    0.6508    0.3534 H   0  0  0  0  0
    4.9907    0.8266    2.1164 H   0  0  0  0  0
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    6.9208   -2.3778   -0.2054 H   0  0  0  0  0
    6.8724   -0.8593    0.6932 H   0  0  0  0  0
    6.3615   -2.0981    2.7480 H   0  0  0  0  0
    6.3722   -3.6415    1.8808 H   0  0  0  0  0
    4.9906   -3.1895    2.8917 H   0  0  0  0  0
    1.5340   -1.6705    2.2978 H   0  0  0  0  0
    0.8142   -2.1604    0.7588 H   0  0  0  0  0
    1.8286   -6.2185    3.3341 H   0  0  0  0  0
    1.3881   -4.8897    4.4455 H   0  0  0  0  0
    2.9761   -4.8941    3.6756 H   0  0  0  0  0
    4.6980   -5.5536    1.5920 H   0  0  0  0  0
    4.0954   -5.7759   -0.0621 H   0  0  0  0  0
    3.0532   -6.1475    1.2912 H   0  0  0  0  0
  1  2  1  0  0  0
  1 19  1  0  0  0
  1 20  1  0  0  0
  1 21  1  0  0  0
  2  6  1  0  0  0
  2  3  1  0  0  0
  2 22  1  0  0  0
  3  4  1  0  0  0
  3 23  1  0  0  0
  3 24  1  0  0  0
  4  5  1  0  0  0
  4 25  1  0  0  0
  4 26  1  0  0  0
  5  6  1  0  0  0
  5  9  1  0  0  0
  5 27  1  0  0  0
  6 14  1  0  0  0
  6  7  1  0  0  0
  7  8  1  0  0  0
  7 28  1  0  0  0
  7 29  1  0  0  0
  8 12  1  0  0  0
  8  9  1  0  0  0
  8 30  1  0  0  0
  9 11  1  0  0  0
  9 10  1  0  0  0
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 10 32  1  0  0  0
 10 33  1  0  0  0
 11 34  1  0  0  0
 11 35  1  0  0  0
 11 36  1  0  0  0
 12 13  2  0  0  0
 12 18  1  0  0  0
 13 14  1  0  0  0
 13 15  1  0  0  0
 14 37  1  0  0  0
 14 38  1  0  0  0
 15 17  1  0  0  0
 15 16  2  0  0  0
 17 39  1  0  0  0
 17 40  1  0  0  0
 17 41  1  0  0  0
 18 42  1  0  0  0
 18 43  1  0  0  0
 18 44  1  0  0  0
M  END

>  <Chemical Name>
32388-55-9

>  <PubChem CID>
16220111

>  <Formula>
C17H26O

>  <Molecular Weight>
246.394000

>  <IUPAC Name>


>  <XlogP>
4.0

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
1

>  <Canonical SMILES>
CC1CCC2C13CC(C2(C)C)C(=C(C3)C(=O)C)C

>  <Isomeric SMILES>
C[C@@H]1CC[C@@H]2[C@@]13C[C@H](C2(C)C)C(=C(C3)C(=O)C)C

>  <InChI Std. ID>
InChI=1S/C17H26O/c1-10-6-7-15-16(4,5)14-9-17(10,15)8-13(11(14)2)12(3)18/h10,14-15H,6-9H2,1-5H3/t10-,14+,15+,17+/m1/s1

>  <InChI Key>
YBUIAJZFOGJGLJ-SWRJLBSHSA-N

