
 CID 9886706

 55 60  0  0  0  0  0  0  0  0999 V2000
    0.1404    0.3490    0.7468 C   0  0  0  0  0
    1.5918   -0.0698    1.0465 C   0  0  0  0  0
    2.0643    1.2667    0.3989 C   0  0  0  0  0
    0.6900    1.2838   -0.3468 C   0  0  0  0  0
    3.2884    1.1215   -0.4999 C   0  0  0  0  0
    3.5797    2.4416   -1.1609 C   0  0  0  0  0
    3.2557    3.6513   -0.6572 C   0  0  0  0  0
    2.7176    3.6960    0.7415 C   0  0  0  0  0
    2.7183    4.7434    1.3861 O   0  0  0  0  0
    2.2718    2.4067    1.3951 C   0  0  0  0  0
    3.4211    4.9644   -1.4133 C   0  0  0  0  0
    2.1419    5.7813   -1.4583 C   0  0  0  0  0
    0.9868    5.2887   -2.0879 C   0  0  0  0  0
   -0.1839    6.0483   -2.1065 C   0  0  0  0  0
   -0.2122    7.3033   -1.4998 C   0  0  0  0  0
    0.9326    7.8040   -0.8800 C   0  0  0  0  0
    2.1058    7.0492   -0.8669 C   0  0  0  0  0
    3.1979    7.6197   -0.2546 O   0  0  0  0  0
    4.4340    6.9963   -0.3691 C   0  0  0  0  0
    4.5832    5.7745   -0.9121 C   0  0  0  0  0
    5.9489    5.2224   -1.1197 C   0  0  0  0  0
    6.1072    4.2130   -1.8092 O   0  0  0  0  0
    7.1228    5.9771   -0.5401 C   0  0  0  0  0
    6.7142    6.9049    0.6079 C   0  0  0  0  0
    5.5650    7.8202    0.1841 C   0  0  0  0  0
    7.9044    7.6569    1.2762 C   0  0  0  0  0
    7.9821    6.5219    2.3144 C   0  0  0  0  0
    6.5148    6.1895    1.9847 C   0  0  0  0  0
    4.2366    2.3083   -2.3707 O   0  0  0  0  0
   -0.3482    0.8751    1.5745 H   0  0  0  0  0
   -0.5200   -0.4494    0.3986 H   0  0  0  0  0
    1.8996   -0.9708    0.5021 H   0  0  0  0  0
    1.8299   -0.2079    2.1051 H   0  0  0  0  0
    0.1891    2.2529   -0.4265 H   0  0  0  0  0
    0.7058    0.8193   -1.3402 H   0  0  0  0  0
    3.1110    0.3542   -1.2636 H   0  0  0  0  0
    4.1652    0.8052    0.0779 H   0  0  0  0  0
    3.0453    2.1312    2.1226 H   0  0  0  0  0
    1.3492    2.6151    1.9491 H   0  0  0  0  0
    3.6312    4.7502   -2.4718 H   0  0  0  0  0
    0.9942    4.3107   -2.5651 H   0  0  0  0  0
   -1.0756    5.6602   -2.5925 H   0  0  0  0  0
   -1.1251    7.8928   -1.5103 H   0  0  0  0  0
    0.9120    8.7827   -0.4088 H   0  0  0  0  0
    7.8623    5.2410   -0.2047 H   0  0  0  0  0
    7.5718    6.5583   -1.3544 H   0  0  0  0  0
    5.8965    8.5333   -0.5803 H   0  0  0  0  0
    5.2116    8.4081    1.0416 H   0  0  0  0  0
    7.6380    8.6249    1.7179 H   0  0  0  0  0
    8.7994    7.7921    0.6623 H   0  0  0  0  0
    8.1766    6.8346    3.3435 H   0  0  0  0  0
    8.6870    5.7263    2.0485 H   0  0  0  0  0
    6.2742    5.1228    1.9513 H   0  0  0  0  0
    5.8015    6.6837    2.6555 H   0  0  0  0  0
    4.9816    2.9556   -2.3809 H   0  0  0  0  0
  1  2  1  0  0  0
  1  4  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  2  3  1  0  0  0
  2 32  1  0  0  0
  2 33  1  0  0  0
  3 10  1  0  0  0
  3  5  1  0  0  0
  3  4  1  0  0  0
  4 34  1  0  0  0
  4 35  1  0  0  0
  5  6  1  0  0  0
  5 36  1  0  0  0
  5 37  1  0  0  0
  6  7  2  0  0  0
  6 29  1  0  0  0
  7  8  1  0  0  0
  7 11  1  0  0  0
  8 10  1  0  0  0
  8  9  2  0  0  0
 10 38  1  0  0  0
 10 39  1  0  0  0
 11 20  1  0  0  0
 11 12  1  0  0  0
 11 40  1  0  0  0
 12 13  2  0  0  0
 12 17  1  0  0  0
 13 14  1  0  0  0
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 14 42  1  0  0  0
 15 16  1  0  0  0
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 16 17  2  0  0  0
 16 44  1  0  0  0
 17 18  1  0  0  0
 18 19  1  0  0  0
 19 25  1  0  0  0
 19 20  2  0  0  0
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 21 22  2  0  0  0
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 28 54  1  0  0  0
 29 55  1  0  0  0
M  END

>  <Chemical Name>
CID 9886706

>  <PubChem CID>
9886706

>  <Formula>
C25H26O4

>  <Molecular Weight>
390.479000

>  <IUPAC Name>
9-(6-hydroxy-8-oxospiro[3.5]non-6-en-7-yl)spiro[4,9-dihydro-2H-xanthene-3,1'-cyclobutane]-1-one

>  <XlogP>
4.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CC2(C1)CC(=C(C(=O)C2)C3C4=CC=CC=C4OC5=C3C(=O)CC6(C5)CCC6)O

>  <Isomeric SMILES>
C1CC2(C1)CC(=C(C(=O)C2)C3C4=CC=CC=C4OC5=C3C(=O)CC6(C5)CCC6)O

>  <InChI Std. ID>
InChI=1S/C25H26O4/c26-16-11-24(7-3-8-24)12-17(27)22(16)21-15-5-1-2-6-19(15)29-20-14-25(9-4-10-25)13-18(28)23(20)21/h1-2,5-6,21,26H,3-4,7-14H2

>  <InChI Key>
CACDPSGACXRJRO-UHFFFAOYSA-N

