
 BAY 36-7620

 39 42  0  0  0  0  0  0  0  0999 V2000
    1.5943    1.5220    1.7136 C   0  0  0  0  0
    2.2686    0.3670    1.6730 C   0  0  0  0  0
    1.7511   -0.9462    2.1710 C   0  0  0  0  0
    2.5646   -2.0107    1.4110 C   0  0  0  0  0
    1.7025   -2.8308    0.4727 C   0  0  0  0  0
    1.6553   -2.1110   -0.7580 O   0  0  0  0  0
    2.7286   -1.2723   -0.8424 C   0  0  0  0  0
    3.0164   -0.6362   -1.8447 O   0  0  0  0  0
    3.5005   -1.2606    0.4599 C   0  0  0  0  0
    3.5936    0.1678    1.0054 C   0  0  0  0  0
    4.9056   -1.8577    0.2668 C   0  0  0  0  0
    4.9731   -3.2869   -0.2174 C   0  0  0  0  0
    5.0461   -4.3498    0.6955 C   0  0  0  0  0
    5.0884   -5.6848    0.2581 C   0  0  0  0  0
    5.1434   -6.7530    1.1682 C   0  0  0  0  0
    5.1853   -8.0734    0.7174 C   0  0  0  0  0
    5.1763   -8.3429   -0.6480 C   0  0  0  0  0
    5.1214   -7.2927   -1.5654 C   0  0  0  0  0
    5.0740   -5.9595   -1.1275 C   0  0  0  0  0
    5.0132   -4.8931   -2.0364 C   0  0  0  0  0
    4.9616   -3.5720   -1.5866 C   0  0  0  0  0
    2.0056    2.4322    1.2866 H   0  0  0  0  0
    0.6121    1.5887    2.1720 H   0  0  0  0  0
    0.6707   -1.0456    2.0253 H   0  0  0  0  0
    1.9582   -1.0320    3.2443 H   0  0  0  0  0
    3.0761   -2.6488    2.1392 H   0  0  0  0  0
    2.1292   -3.8185    0.2737 H   0  0  0  0  0
    0.6852   -2.9794    0.8473 H   0  0  0  0  0
    4.3847    0.2519    1.7600 H   0  0  0  0  0
    3.7805    0.9089    0.2209 H   0  0  0  0  0
    5.4609   -1.7939    1.2128 H   0  0  0  0  0
    5.4741   -1.2334   -0.4370 H   0  0  0  0  0
    5.0696   -4.1384    1.7630 H   0  0  0  0  0
    5.1537   -6.5642    2.2390 H   0  0  0  0  0
    5.2268   -8.8909    1.4326 H   0  0  0  0  0
    5.2124   -9.3703   -1.0009 H   0  0  0  0  0
    5.1158   -7.5223   -2.6286 H   0  0  0  0  0
    5.0035   -5.0824   -3.1078 H   0  0  0  0  0
    4.9126   -2.7682   -2.3201 H   0  0  0  0  0
  1  2  2  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  2 10  1  0  0  0
  2  3  1  0  0  0
  3  4  1  0  0  0
  3 24  1  0  0  0
  3 25  1  0  0  0
  4  9  1  0  0  0
  4  5  1  0  0  0
  4 26  1  0  0  0
  5  6  1  0  0  0
  5 27  1  0  0  0
  5 28  1  0  0  0
  6  7  1  0  0  0
  7  9  1  0  0  0
  7  8  2  0  0  0
  9 10  1  0  0  0
  9 11  1  0  0  0
 10 29  1  0  0  0
 10 30  1  0  0  0
 11 12  1  0  0  0
 11 31  1  0  0  0
 11 32  1  0  0  0
 12 21  1  0  0  0
 12 13  2  0  0  0
 13 14  1  0  0  0
 13 33  1  0  0  0
 14 19  1  0  0  0
 14 15  2  0  0  0
 15 16  1  0  0  0
 15 34  1  0  0  0
 16 17  2  0  0  0
 16 35  1  0  0  0
 17 18  1  0  0  0
 17 36  1  0  0  0
 18 19  2  0  0  0
 18 37  1  0  0  0
 19 20  1  0  0  0
 20 21  2  0  0  0
 20 38  1  0  0  0
 21 39  1  0  0  0
M  END

>  <Chemical Name>
BAY 36-7620

>  <PubChem CID>
9903757

>  <Formula>
C19H18O2

>  <Molecular Weight>
278.351000

>  <IUPAC Name>
(3aS,6aS)-5-methylidene-3a-(naphthalen-2-ylmethyl)-1,4,6,6a-tetrahydrocyclopenta[c]furan-3-one

>  <XlogP>
3.9

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C=C1CC2COC(=O)C2(C1)CC3=CC4=CC=CC=C4C=C3

>  <Isomeric SMILES>
C=C1C[C@@H]2COC(=O)[C@@]2(C1)CC3=CC4=CC=CC=C4C=C3

>  <InChI Std. ID>
InChI=1S/C19H18O2/c1-13-8-17-12-21-18(20)19(17,10-13)11-14-6-7-15-4-2-3-5-16(15)9-14/h2-7,9,17H,1,8,10-12H2/t17-,19+/m1/s1

>  <InChI Key>
CVIRWLJKDBYYOG-MJGOQNOKSA-N

