
 AM-1714

 52 54  0  0  0  0  0  0  0  0999 V2000
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    4.4747    1.4926   -0.0173 C   0  0  0  0  0
    4.9394    2.9516   -0.0583 C   0  0  0  0  0
    6.4711    3.0436   -0.0065 C   0  0  0  0  0
    7.0663    4.4838   -0.0104 C   0  0  0  0  0
    6.5909    5.2650   -1.2598 C   0  0  0  0  0
    6.5558    5.2792    1.2165 C   0  0  0  0  0
    8.6054    4.3391    0.0091 C   0  0  0  0  0
    9.3255    4.2831    1.2057 C   0  0  0  0  0
   10.7221    4.1442    1.2005 C   0  0  0  0  0
   11.4919    4.0404    0.0388 C   0  0  0  0  0
   10.7544    4.0634   -1.1573 C   0  0  0  0  0
    9.3507    4.2022   -1.1724 C   0  0  0  0  0
   11.3781    3.9438   -2.3710 O   0  0  0  0  0
   12.9594    3.9173    0.1890 C   0  0  0  0  0
   13.5186    3.8923    1.4808 C   0  0  0  0  0
   14.9096    3.7822    1.6845 C   0  0  0  0  0
   15.7778    3.6954    0.6028 C   0  0  0  0  0
   15.2463    3.7206   -0.6750 C   0  0  0  0  0
   13.8689    3.8295   -0.8826 C   0  0  0  0  0
   16.0487    3.6417   -1.7755 O   0  0  0  0  0
   12.6691    3.9851    2.6912 C   0  0  0  0  0
   13.1449    3.9549    3.8201 O   0  0  0  0  0
   11.3086    4.1125    2.4841 O   0  0  0  0  0
    0.6708   -1.2302   -0.0370 H   0  0  0  0  0
    0.6061    0.2217   -1.0507 H   0  0  0  0  0
    0.4937    0.3645    0.7149 H   0  0  0  0  0
    2.9405   -0.6441   -0.8319 H   0  0  0  0  0
    2.8300   -0.5161    0.9247 H   0  0  0  0  0
    2.5008    1.9582    0.7312 H   0  0  0  0  0
    2.5964    1.8384   -1.0271 H   0  0  0  0  0
    4.9198    0.9406   -0.8541 H   0  0  0  0  0
    4.8304    1.0213    0.9071 H   0  0  0  0  0
    4.4982    3.4877    0.7887 H   0  0  0  0  0
    4.5649    3.4188   -0.9755 H   0  0  0  0  0
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    6.7183    4.6857   -2.1807 H   0  0  0  0  0
    7.1426    6.2059   -1.3723 H   0  0  0  0  0
    5.5273    5.5217   -1.1968 H   0  0  0  0  0
    6.6667    4.7132    2.1479 H   0  0  0  0  0
    5.4924    5.5274    1.1257 H   0  0  0  0  0
    7.0977    6.2260    1.3285 H   0  0  0  0  0
    8.8276    4.3405    2.1700 H   0  0  0  0  0
    8.8385    4.1940   -2.1302 H   0  0  0  0  0
   10.7240    3.9957   -3.0866 H   0  0  0  0  0
   15.3160    3.7659    2.6948 H   0  0  0  0  0
   16.8456    3.6126    0.7759 H   0  0  0  0  0
   13.5376    3.8456   -1.9148 H   0  0  0  0  0
   16.9734    3.5698   -1.4873 H   0  0  0  0  0
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  1 27  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  2  3  1  0  0  0
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  2 31  1  0  0  0
  3  4  1  0  0  0
  3 32  1  0  0  0
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  4  5  1  0  0  0
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  6  7  1  0  0  0
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  7 10  1  0  0  0
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M  END

>  <Chemical Name>
AM-1714

>  <PubChem CID>
9950486

>  <Formula>
C22H26O4

>  <Molecular Weight>
354.446000

>  <IUPAC Name>
1,9-dihydroxy-3-(2-methyloctan-2-yl)benzo[c]chromen-6-one

>  <XlogP>
6.7

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CCCCCCC(C)(C)C1=CC2=C(C(=C1)O)C3=C(C=CC(=C3)O)C(=O)O2

>  <Isomeric SMILES>
CCCCCCC(C)(C)C1=CC2=C(C(=C1)O)C3=C(C=CC(=C3)O)C(=O)O2

>  <InChI Std. ID>
InChI=1S/C22H26O4/c1-4-5-6-7-10-22(2,3)14-11-18(24)20-17-13-15(23)8-9-16(17)21(25)26-19(20)12-14/h8-9,11-13,23-24H,4-7,10H2,1-3H3

>  <InChI Key>
BWKBVEVEQOCSCF-UHFFFAOYSA-N

