
 Sepetaprost

 70 72  0  0  0  0  0  0  0  0999 V2000
    5.3967    1.5137    5.3361 C   0  0  0  0  0
    5.8898    0.3166    4.5321 C   0  0  0  0  0
    4.9008   -0.8399    4.6308 C   0  0  0  0  0
    5.9997    0.6503    3.1346 O   0  0  0  0  0
    7.1436    1.2844    2.7545 C   0  0  0  0  0
    8.0073    1.7092    3.5094 O   0  0  0  0  0
    7.2279    1.3559    1.2502 C   0  0  0  0  0
    6.4489    2.5220    0.6546 C   0  0  0  0  0
    6.9748    3.9153    1.0233 C   0  0  0  0  0
    8.4561    4.2032    0.6785 C   0  0  0  0  0
    8.8353    3.9451   -0.7927 C   0  0  0  0  0
    8.0151    4.7119   -1.8319 C   0  0  0  0  0
    8.4572    6.1614   -2.0735 C   0  0  0  0  0
    8.8734    6.9852   -0.8404 C   0  0  0  0  0
    8.5091    8.4487   -1.1491 C   0  0  0  0  0
    7.8831    8.4471   -2.5372 C   0  0  0  0  0
    7.3344    7.0205   -2.7006 C   0  0  0  0  0
    6.8865    6.7559   -4.1170 C   0  0  0  0  0
    7.5169    6.0291   -5.0560 C   0  0  0  0  0
    7.0654    5.8488   -6.4846 C   0  0  0  0  0
    6.4365    4.4660   -6.7151 C   0  0  0  0  0
    7.4348    3.4534   -6.5744 O   0  0  0  0  0
    7.0223    2.1532   -6.6914 C   0  0  0  0  0
    5.7496    1.6991   -7.0567 C   0  0  0  0  0
    5.4743    0.3324   -7.1502 C   0  0  0  0  0
    6.4743   -0.5962   -6.8797 C   0  0  0  0  0
    7.7386   -0.1485   -6.5155 C   0  0  0  0  0
    8.0191    1.2127   -6.4209 C   0  0  0  0  0
    8.7024   -1.0389   -6.2546 F   0  0  0  0  0
    4.7529    2.5487   -7.3378 F   0  0  0  0  0
    6.1312    6.8751   -6.8220 O   0  0  0  0  0
    8.9137    8.7343   -3.4876 O   0  0  0  0  0
    8.1564    6.6152    0.3363 O   0  0  0  0  0
    8.8199    5.6265    1.1173 C   0  0  0  0  0
    6.1258    2.3313    5.3088 H   0  0  0  0  0
    5.2304    1.2429    6.3834 H   0  0  0  0  0
    4.4643    1.9088    4.9218 H   0  0  0  0  0
    6.8598   -0.0258    4.9126 H   0  0  0  0  0
    3.9115   -0.5436    4.2629 H   0  0  0  0  0
    4.8000   -1.1909    5.6618 H   0  0  0  0  0
    5.2294   -1.6776    4.0070 H   0  0  0  0  0
    6.8456    0.4112    0.8462 H   0  0  0  0  0
    8.2847    1.3853    0.9680 H   0  0  0  0  0
    5.4019    2.4588    0.9759 H   0  0  0  0  0
    6.4380    2.4155   -0.4367 H   0  0  0  0  0
    6.8328    4.0622    2.1011 H   0  0  0  0  0
    6.3267    4.6594    0.5439 H   0  0  0  0  0
    9.0707    3.5310    1.2915 H   0  0  0  0  0
    8.7200    2.8737   -0.9945 H   0  0  0  0  0
    9.9035    4.1555   -0.9381 H   0  0  0  0  0
    8.1089    4.1739   -2.7829 H   0  0  0  0  0
    6.9506    4.6687   -1.5856 H   0  0  0  0  0
    9.3222    6.1461   -2.7525 H   0  0  0  0  0
    9.9550    6.9136   -0.6732 H   0  0  0  0  0
    9.4042    9.0812   -1.1152 H   0  0  0  0  0
    7.7950    8.8348   -0.4117 H   0  0  0  0  0
    7.1076    9.2133   -2.6331 H   0  0  0  0  0
    6.4431    6.9203   -2.0646 H   0  0  0  0  0
    5.9510    7.2477   -4.3915 H   0  0  0  0  0
    8.4541    5.5307   -4.8160 H   0  0  0  0  0
    7.9439    5.9770   -7.1293 H   0  0  0  0  0
    6.0251    4.4423   -7.7324 H   0  0  0  0  0
    5.6190    4.3120   -5.9988 H   0  0  0  0  0
    4.4782    0.0079   -7.4379 H   0  0  0  0  0
    6.2796   -1.6623   -6.9502 H   0  0  0  0  0
    9.0167    1.5310   -6.1345 H   0  0  0  0  0
    5.9697    6.8121   -7.7784 H   0  0  0  0  0
    8.5078    8.6515   -4.3701 H   0  0  0  0  0
    9.9061    5.7768    1.1072 H   0  0  0  0  0
    8.5036    5.7781    2.1557 H   0  0  0  0  0
  1  2  1  0  0  0
  1 35  1  0  0  0
  1 36  1  0  0  0
  1 37  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  2 38  1  0  0  0
  3 39  1  0  0  0
  3 40  1  0  0  0
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 34 70  1  0  0  0
M  END

>  <Chemical Name>
Sepetaprost

>  <PubChem CID>
50902259

>  <Formula>
C26H36F2O6

>  <Molecular Weight>
482.565000

>  <IUPAC Name>
propan-2-yl 4-[(3S,5aR,6R,7R,8aS)-6-[(E,3R)-4-(2,5-difluorophenoxy)-3-hydroxybut-1-enyl]-7-hydroxy-3,4,5,5a,6,7,8,8a-octahydro-2H-cyclopenta[b]oxepin-3-yl]butanoate

>  <XlogP>
3.8

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CC(C)OC(=O)CCCC1CCC2C(CC(C2C=CC(COC3=C(C=CC(=C3)F)F)O)O)OC1

>  <Isomeric SMILES>
CC(C)OC(=O)CCC[C@H]1CC[C@H]2[C@H](C[C@H]([C@@H]2/C=C/[C@H](COC3=C(C=CC(=C3)F)F)O)O)OC1

>  <InChI Std. ID>
InChI=1S/C26H36F2O6/c1-16(2)34-26(31)5-3-4-17-6-9-21-20(23(30)13-24(21)32-14-17)10-8-19(29)15-33-25-12-18(27)7-11-22(25)28/h7-8,10-12,16-17,19-21,23-24,29-30H,3-6,9,13-15H2,1-2H3/b10-8+/t17-,19+,20+,21+,23+,24-/m0/s1

>  <InChI Key>
BKVUSNOUTQMSBE-XCMGCKIWSA-N

