
 Dihydrorotenone

 53 57  0  0  0  0  0  0  0  0999 V2000
    0.6609   -1.0259   -0.6965 C   0  0  0  0  0
    0.8529    0.3569   -0.0697 C   0  0  0  0  0
    0.5972    0.2789    1.4389 C   0  0  0  0  0
    2.2532    0.9282   -0.3675 C   0  0  0  0  0
    2.5420    1.0791   -1.8726 C   0  0  0  0  0
    3.3640    2.3089   -1.8389 C   0  0  0  0  0
    3.2138    2.9262   -0.6079 C   0  0  0  0  0
    2.3960    2.2398    0.2507 O   0  0  0  0  0
    3.8209    4.1313   -0.3095 C   0  0  0  0  0
    4.6379    4.7148   -1.2827 C   0  0  0  0  0
    4.8020    4.0876   -2.5318 C   0  0  0  0  0
    4.1294    2.8929   -2.8286 C   0  0  0  0  0
    4.1924    2.2614   -4.0419 O   0  0  0  0  0
    4.6138    3.1575   -5.0794 C   0  0  0  0  0
    4.7136    2.4026   -6.3946 C   0  0  0  0  0
    5.0342    3.2821   -7.4729 O   0  0  0  0  0
    6.1261    4.0764   -7.2392 C   0  0  0  0  0
    6.7349    4.6116   -8.3730 C   0  0  0  0  0
    7.8982    5.3802   -8.2671 C   0  0  0  0  0
    8.4227    5.6663   -6.9984 C   0  0  0  0  0
    7.7967    5.1279   -5.8626 C   0  0  0  0  0
    6.6276    4.3543   -5.9635 C   0  0  0  0  0
    5.9833    3.7433   -4.7412 C   0  0  0  0  0
    5.7278    4.6522   -3.5493 C   0  0  0  0  0
    6.2768    5.7283   -3.3473 O   0  0  0  0  0
    9.5522    6.4370   -6.9127 O   0  0  0  0  0
    9.6592    7.2571   -5.7530 C   0  0  0  0  0
    8.3759    5.8180   -9.4757 O   0  0  0  0  0
    9.7891    5.9363   -9.5886 C   0  0  0  0  0
    0.7578   -0.9895   -1.7859 H   0  0  0  0  0
   -0.3365   -1.4187   -0.4714 H   0  0  0  0  0
    1.3987   -1.7394   -0.3139 H   0  0  0  0  0
    0.1003    1.0381   -0.4875 H   0  0  0  0  0
    1.3336   -0.3639    1.9329 H   0  0  0  0  0
   -0.3986   -0.1299    1.6422 H   0  0  0  0  0
    0.6452    1.2698    1.9016 H   0  0  0  0  0
    3.0171    0.2828    0.0913 H   0  0  0  0  0
    1.6325    1.2569   -2.4557 H   0  0  0  0  0
    3.0777    0.2111   -2.2672 H   0  0  0  0  0
    3.6790    4.5995    0.6588 H   0  0  0  0  0
    5.1520    5.6493   -1.0664 H   0  0  0  0  0
    3.8588    3.9509   -5.2015 H   0  0  0  0  0
    3.7521    1.9294   -6.6251 H   0  0  0  0  0
    5.4478    1.5875   -6.3459 H   0  0  0  0  0
    6.3201    4.4015   -9.3558 H   0  0  0  0  0
    8.2217    5.2991   -4.8770 H   0  0  0  0  0
    6.6551    2.9479   -4.3862 H   0  0  0  0  0
    9.9705    6.6671   -4.8855 H   0  0  0  0  0
    8.7273    7.7963   -5.5515 H   0  0  0  0  0
   10.4409    7.9988   -5.9437 H   0  0  0  0  0
   10.0403    5.8763  -10.6524 H   0  0  0  0  0
   10.3173    5.1214   -9.0814 H   0  0  0  0  0
   10.1229    6.9152   -9.2327 H   0  0  0  0  0
  1  2  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  2 33  1  0  0  0
  3 34  1  0  0  0
  3 35  1  0  0  0
  3 36  1  0  0  0
  4  8  1  0  0  0
  4  5  1  0  0  0
  4 37  1  0  0  0
  5  6  1  0  0  0
  5 38  1  0  0  0
  5 39  1  0  0  0
  6 12  1  0  0  0
  6  7  2  0  0  0
  7  9  1  0  0  0
  7  8  1  0  0  0
  9 10  2  0  0  0
  9 40  1  0  0  0
 10 11  1  0  0  0
 10 41  1  0  0  0
 11 12  2  0  0  0
 11 24  1  0  0  0
 12 13  1  0  0  0
 13 14  1  0  0  0
 14 23  1  0  0  0
 14 15  1  0  0  0
 14 42  1  0  0  0
 15 16  1  0  0  0
 15 43  1  0  0  0
 15 44  1  0  0  0
 16 17  1  0  0  0
 17 18  2  0  0  0
 17 22  1  0  0  0
 18 19  1  0  0  0
 18 45  1  0  0  0
 19 20  2  0  0  0
 19 28  1  0  0  0
 20 21  1  0  0  0
 20 26  1  0  0  0
 21 22  2  0  0  0
 21 46  1  0  0  0
 22 23  1  0  0  0
 23 24  1  0  0  0
 23 47  1  0  0  0
 24 25  2  0  0  0
 26 27  1  0  0  0
 27 48  1  0  0  0
 27 49  1  0  0  0
 27 50  1  0  0  0
 28 29  1  0  0  0
 29 51  1  0  0  0
 29 52  1  0  0  0
 29 53  1  0  0  0
M  END

>  <Chemical Name>
Dihydrorotenone

>  <PubChem CID>
243725

>  <Formula>
C23H24O6

>  <Molecular Weight>
396.439000

>  <IUPAC Name>


>  <XlogP>
4.200

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC(C)C1CC2=C(O1)C=CC3=C2OC4COC5=CC(=C(C=C5C4C3=O)OC)OC

>  <Isomeric SMILES>
CC(C)[C@H]1CC2=C(O1)C=CC3=C2O[C@@H]4COC5=CC(=C(C=C5[C@@H]4C3=O)OC)OC

>  <InChI Std. ID>
InChI=1S/C23H24O6/c1-11(2)16-8-14-15(28-16)6-5-12-22(24)21-13-7-18(25-3)19(26-4)9-17(13)27-10-20(21)29-23(12)14/h5-7,9,11,16,20-21H,8,10H2,1-4H3/t16-,20-,21+/m1/s1

>  <InChI Key>
DTFARBHXORYQBF-HBGVWJBISA-N

