
 CHEMBL381492

 54 58  0  0  0  0  0  0  0  0999 V2000
    1.3068    0.8667    0.2357 C   0  0  0  0  0
    2.7599    1.2185    0.0953 C   0  0  0  0  0
    3.7290    0.2955    0.1964 C   0  0  0  0  0
    5.1891    0.6090    0.0922 C   0  0  0  0  0
    5.5542    2.0963    0.2591 C   0  0  0  0  0
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    3.0602    2.6724   -0.1670 C   0  0  0  0  0
    4.8442    4.4461   -0.2240 C   0  0  0  0  0
    5.6124    4.8305    0.8743 C   0  0  0  0  0
    5.8695    6.1830    1.1229 C   0  0  0  0  0
    5.3709    7.1858    0.2798 C   0  0  0  0  0
    4.6105    6.8001   -0.8309 C   0  0  0  0  0
    4.3554    5.4500   -1.0737 C   0  0  0  0  0
    3.6156    5.0869   -2.1657 O   0  0  0  0  0
    5.6145    8.6103    0.5708 C   0  0  0  0  0
    4.5299    9.3823    1.0314 C   0  0  0  0  0
    4.6855   10.7285    1.3437 C   0  0  0  0  0
    5.9322   11.3294    1.2040 C   0  0  0  0  0
    7.0372   10.5978    0.7468 C   0  0  0  0  0
    8.2873   11.2257    0.6149 C   0  0  0  0  0
    9.4002   10.5229    0.1572 C   0  0  0  0  0
    9.2764    9.1822   -0.1807 C   0  0  0  0  0
    8.0400    8.5438   -0.0557 C   0  0  0  0  0
    6.8928    9.2246    0.4168 C   0  0  0  0  0
    6.1913    3.9691    1.7593 O   0  0  0  0  0
    5.8249    2.5738    1.7144 C   0  0  0  0  0
    4.6865    2.3693    2.7225 C   0  0  0  0  0
    7.0697    1.8523    2.2769 C   0  0  0  0  0
    0.8600    1.4268    1.0637 H   0  0  0  0  0
    1.1577   -0.1996    0.4368 H   0  0  0  0  0
    0.7646    1.1123   -0.6835 H   0  0  0  0  0
    3.4710   -0.7486    0.3612 H   0  0  0  0  0
    5.5194    0.2756   -0.9007 H   0  0  0  0  0
    5.7344   -0.0110    0.8096 H   0  0  0  0  0
    6.5112    2.2350   -0.2710 H   0  0  0  0  0
    4.6958    2.7964   -1.5507 H   0  0  0  0  0
    2.7047    3.2607    0.6871 H   0  0  0  0  0
    2.4502    2.9998   -1.0196 H   0  0  0  0  0
    6.4655    6.4543    1.9929 H   0  0  0  0  0
    4.2215    7.5648   -1.4979 H   0  0  0  0  0
    3.3932    5.8841   -2.6743 H   0  0  0  0  0
    3.5515    8.9221    1.1605 H   0  0  0  0  0
    3.8380   11.3066    1.7021 H   0  0  0  0  0
    6.0359   12.3823    1.4582 H   0  0  0  0  0
    8.4042   12.2765    0.8711 H   0  0  0  0  0
   10.3601   11.0235    0.0638 H   0  0  0  0  0
   10.1386    8.6277   -0.5417 H   0  0  0  0  0
    7.9827    7.4940   -0.3360 H   0  0  0  0  0
    3.8188    2.9922    2.4969 H   0  0  0  0  0
    5.0048    2.6827    3.7248 H   0  0  0  0  0
    4.3735    1.3239    2.7892 H   0  0  0  0  0
    7.9247    1.9642    1.6002 H   0  0  0  0  0
    6.8974    0.7861    2.4473 H   0  0  0  0  0
    7.3797    2.2972    3.2304 H   0  0  0  0  0
  1  2  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 32  1  0  0  0
  4  5  1  0  0  0
  4 33  1  0  0  0
  4 34  1  0  0  0
  5 26  1  0  0  0
  5  6  1  0  0  0
  5 35  1  0  0  0
  6  8  1  0  0  0
  6  7  1  0  0  0
  6 36  1  0  0  0
  7 37  1  0  0  0
  7 38  1  0  0  0
  8  9  2  0  0  0
  8 13  1  0  0  0
  9 25  1  0  0  0
  9 10  1  0  0  0
 10 11  2  0  0  0
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 11 12  1  0  0  0
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 15 24  1  0  0  0
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 19 20  2  0  0  0
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M  END

>  <Chemical Name>
CHEMBL381492

>  <PubChem CID>
11703427

>  <Formula>
C26H26O2

>  <Molecular Weight>
370.492000

>  <IUPAC Name>
(6aR,10aR)-6,6,9-trimethyl-3-naphthalen-1-yl-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol

>  <XlogP>
6.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC1=CCC2C(C1)C3=C(C=C(C=C3O)C4=CC=CC5=CC=CC=C54)OC2(C)C

>  <Isomeric SMILES>
CC1=CC[C@@H]2[C@@H](C1)C3=C(C=C(C=C3O)C4=CC=CC5=CC=CC=C54)OC2(C)C

>  <InChI Std. ID>
InChI=1S/C26H26O2/c1-16-11-12-22-21(13-16)25-23(27)14-18(15-24(25)28-26(22,2)3)20-10-6-8-17-7-4-5-9-19(17)20/h4-11,14-15,21-22,27H,12-13H2,1-3H3/t21-,22-/m1/s1

>  <InChI Key>
FRSKJNRWKGKNPJ-FGZHOGPDSA-N

