
 CHEMBL2304169

 50 54  0  0  0  0  0  0  0  0999 V2000
    2.6553   -0.7218   -2.3870 C   0  0  0  0  0
    3.6866    0.2239   -1.8538 C   0  0  0  0  0
    4.6422    0.6338   -2.4917 O   0  0  0  0  0
    3.4040    0.5942   -0.5800 O   0  0  0  0  0
    4.4093    1.2585    0.2007 C   0  0  0  0  0
    5.6024    0.3371    0.3674 C   0  0  0  0  0
    5.5581   -0.7919    0.8322 O   0  0  0  0  0
    6.7326    0.9324   -0.0740 O   0  0  0  0  0
    6.4095    2.1511   -0.7447 C   0  0  0  0  0
    5.0079    2.6061   -0.2532 C   0  0  0  0  0
    4.2006    3.8547   -1.0307 C   0  0  0  0  0
    3.9188    5.7013   -0.6980 C   0  0  0  0  0
    4.4384    6.5208   -1.8763 C   0  0  0  0  0
    5.4951    5.6427   -2.4867 C   0  0  0  0  0
    5.1803    4.2174   -1.9933 C   0  0  0  0  0
    3.7956    3.9925   -2.9056 C   0  0  0  0  0
    3.7792    3.8496   -4.1212 O   0  0  0  0  0
    2.6029    4.1277   -2.1445 O   0  0  0  0  0
    2.8218    3.4938   -0.9061 C   0  0  0  0  0
    3.2010    3.8118    0.6317 C   0  0  0  0  0
    4.9745    3.7217    0.6628 C   0  0  0  0  0
    5.7898    4.5208   -0.4903 O   0  0  0  0  0
    5.6601    3.8642    2.0452 C   0  0  0  0  0
    5.1376    2.8501    3.0778 C   0  0  0  0  0
    7.1936    3.7251    1.9888 C   0  0  0  0  0
    5.3711    5.2748    2.6052 C   0  0  0  0  0
    2.0986   -0.2385   -3.1928 H   0  0  0  0  0
    1.9543   -1.0166   -1.6006 H   0  0  0  0  0
    3.1536   -1.6241   -2.7513 H   0  0  0  0  0
    3.9853    1.3352    1.2038 H   0  0  0  0  0
    7.2349    2.8365   -0.5382 H   0  0  0  0  0
    6.4383    1.9550   -1.8202 H   0  0  0  0  0
    2.8449    5.9284   -0.6092 H   0  0  0  0  0
    4.3911    6.0554    0.2253 H   0  0  0  0  0
    3.6323    6.7150   -2.5931 H   0  0  0  0  0
    4.8323    7.4915   -1.5598 H   0  0  0  0  0
    6.4926    5.9616   -2.1570 H   0  0  0  0  0
    5.5015    5.7299   -3.5793 H   0  0  0  0  0
    2.4592    2.4820   -1.0110 H   0  0  0  0  0
    2.8090    4.7469    1.0452 H   0  0  0  0  0
    2.7892    3.0261    1.2752 H   0  0  0  0  0
    4.0494    2.8930    3.1808 H   0  0  0  0  0
    5.5600    3.0471    4.0708 H   0  0  0  0  0
    5.4241    1.8271    2.8191 H   0  0  0  0  0
    7.6405    4.4180    1.2684 H   0  0  0  0  0
    7.5002    2.7078    1.7325 H   0  0  0  0  0
    7.6440    3.9460    2.9644 H   0  0  0  0  0
    5.7930    6.0543    1.9621 H   0  0  0  0  0
    5.8149    5.4062    3.5995 H   0  0  0  0  0
    4.2967    5.4567    2.7089 H   0  0  0  0  0
  1  2  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  2  4  1  0  0  0
  2  3  2  0  0  0
  4  5  1  0  0  0
  5 10  1  0  0  0
  5  6  1  0  0  0
  5 30  1  0  0  0
  6  8  1  0  0  0
  6  7  2  0  0  0
  8  9  1  0  0  0
  9 10  1  0  0  0
  9 31  1  0  0  0
  9 32  1  0  0  0
 10 11  1  0  0  0
 10 21  1  0  0  0
 11 12  1  0  0  0
 11 15  1  0  0  0
 11 19  1  0  0  0
 12 13  1  0  0  0
 12 33  1  0  0  0
 12 34  1  0  0  0
 13 14  1  0  0  0
 13 35  1  0  0  0
 13 36  1  0  0  0
 14 15  1  0  0  0
 14 37  1  0  0  0
 14 38  1  0  0  0
 15 22  1  0  0  0
 15 16  1  0  0  0
 16 18  1  0  0  0
 16 17  2  0  0  0
 18 19  1  0  0  0
 19 20  1  0  0  0
 19 39  1  0  0  0
 20 21  1  0  0  0
 20 40  1  0  0  0
 20 41  1  0  0  0
 21 22  1  0  0  0
 21 23  1  0  0  0
 23 26  1  0  0  0
 23 25  1  0  0  0
 23 24  1  0  0  0
 24 42  1  0  0  0
 24 43  1  0  0  0
 24 44  1  0  0  0
 25 45  1  0  0  0
 25 46  1  0  0  0
 25 47  1  0  0  0
 26 48  1  0  0  0
 26 49  1  0  0  0
 26 50  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2304169

>  <PubChem CID>
73346763

>  <Formula>
C19H24O7

>  <Molecular Weight>
364.394000

>  <IUPAC Name>


>  <XlogP>
1.9

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CC(=O)OC1C(=O)OCC12C34CCCC35C(=O)OC4CC2(O5)C(C)(C)C

>  <Isomeric SMILES>
CC(=O)O[C@H]1C(=O)OC[C@]12[C@@]3(C[C@@H]4C25CCC[C@@]5(O3)C(=O)O4)C(C)(C)C

>  <InChI Std. ID>
InChI=1S/C19H24O7/c1-10(20)24-12-13(21)23-9-17(12)16-6-5-7-18(16)14(22)25-11(16)8-19(17,26-18)15(2,3)4/h11-12H,5-9H2,1-4H3/t11-,12+,16?,17+,18-,19-/m1/s1

>  <InChI Key>
BBCFRGKRZVIBIY-XWHIPYFWSA-N

