
 16-phenoxy tetranor Prostaglandin F2alpha

 58 59  0  0  0  0  0  0  0  0999 V2000
   -0.8375   -1.5504    0.5333 C   0  0  0  0  0
   -1.5171   -0.1850    0.3657 C   0  0  0  0  0
   -0.4414    0.8100   -0.1415 C   0  0  0  0  0
    0.8738   -0.0132   -0.0682 C   0  0  0  0  0
    0.4143   -1.4608   -0.3267 C   0  0  0  0  0
    0.0589   -1.6782   -1.6869 O   0  0  0  0  0
    2.0376    0.5617   -0.8410 C   0  0  0  0  0
    2.7721   -0.0760   -1.7670 C   0  0  0  0  0
    3.8958    0.4664   -2.6098 C   0  0  0  0  0
    4.1918    1.9814   -2.5266 C   0  0  0  0  0
    4.7666    2.4705   -3.7495 O   0  0  0  0  0
    3.9169    2.6579   -4.8073 C   0  0  0  0  0
    4.5148    2.5621   -6.0663 C   0  0  0  0  0
    3.7579    2.7314   -7.2274 C   0  0  0  0  0
    2.3972    3.0131   -7.1342 C   0  0  0  0  0
    1.7977    3.1274   -5.8818 C   0  0  0  0  0
    2.5548    2.9517   -4.7195 C   0  0  0  0  0
    5.0648   -0.2790   -2.2490 O   0  0  0  0  0
   -0.7856    1.3516   -1.5479 C   0  0  0  0  0
   -1.9550    2.3017   -1.5095 C   0  0  0  0  0
   -1.8592    3.6171   -1.7590 C   0  0  0  0  0
   -3.0240    4.5627   -1.6918 C   0  0  0  0  0
   -2.8783    5.5160   -0.5065 C   0  0  0  0  0
   -4.0645    6.4657   -0.4078 C   0  0  0  0  0
   -3.9169    7.3587    0.7888 C   0  0  0  0  0
   -4.3086    7.1224    1.9193 O   0  0  0  0  0
   -3.2400    8.4893    0.5157 O   0  0  0  0  0
   -2.0589    0.2341    1.6148 O   0  0  0  0  0
   -0.5761   -1.7299    1.5829 H   0  0  0  0  0
   -1.5082   -2.3543    0.2116 H   0  0  0  0  0
   -2.3551   -0.2756   -0.3328 H   0  0  0  0  0
   -0.3526    1.6668    0.5408 H   0  0  0  0  0
    1.1985    0.0191    0.9844 H   0  0  0  0  0
    1.1713   -2.1960   -0.0365 H   0  0  0  0  0
   -0.1854   -2.6154   -1.7828 H   0  0  0  0  0
    2.2647    1.5957   -0.5898 H   0  0  0  0  0
    2.5376   -1.1135   -2.0021 H   0  0  0  0  0
    3.6781    0.1946   -3.6483 H   0  0  0  0  0
    4.9477    2.1612   -1.7525 H   0  0  0  0  0
    3.3279    2.5883   -2.2468 H   0  0  0  0  0
    5.5764    2.3392   -6.1425 H   0  0  0  0  0
    4.2315    2.6416   -8.2010 H   0  0  0  0  0
    1.8055    3.1477   -8.0354 H   0  0  0  0  0
    0.7378    3.3573   -5.8066 H   0  0  0  0  0
    2.0478    3.0690   -3.7690 H   0  0  0  0  0
    5.2169   -0.1305   -1.3006 H   0  0  0  0  0
   -1.0302    0.5373   -2.2385 H   0  0  0  0  0
    0.0784    1.8720   -1.9758 H   0  0  0  0  0
   -2.9233    1.8754   -1.2526 H   0  0  0  0  0
   -0.8952    4.0514   -2.0155 H   0  0  0  0  0
   -3.9677    4.0098   -1.6097 H   0  0  0  0  0
   -3.0702    5.1302   -2.6289 H   0  0  0  0  0
   -1.9496    6.0939   -0.6012 H   0  0  0  0  0
   -2.7905    4.9420    0.4256 H   0  0  0  0  0
   -5.0064    5.9150   -0.3040 H   0  0  0  0  0
   -4.1591    7.0825   -1.3088 H   0  0  0  0  0
   -3.1993    8.9545    1.3776 H   0  0  0  0  0
   -1.3252    0.4382    2.2193 H   0  0  0  0  0
  1  5  1  0  0  0
  1  2  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  2  3  1  0  0  0
  2 28  1  0  0  0
  2 31  1  0  0  0
  3  4  1  0  0  0
  3 19  1  0  0  0
  3 32  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  4 33  1  0  0  0
  5  6  1  0  0  0
  5 34  1  0  0  0
  6 35  1  0  0  0
  7  8  2  0  0  0
  7 36  1  0  0  0
  8  9  1  0  0  0
  8 37  1  0  0  0
  9 18  1  0  0  0
  9 10  1  0  0  0
  9 38  1  0  0  0
 10 11  1  0  0  0
 10 39  1  0  0  0
 10 40  1  0  0  0
 11 12  1  0  0  0
 12 13  2  0  0  0
 12 17  1  0  0  0
 13 14  1  0  0  0
 13 41  1  0  0  0
 14 15  2  0  0  0
 14 42  1  0  0  0
 15 16  1  0  0  0
 15 43  1  0  0  0
 16 17  2  0  0  0
 16 44  1  0  0  0
 17 45  1  0  0  0
 18 46  1  0  0  0
 19 20  1  0  0  0
 19 47  1  0  0  0
 19 48  1  0  0  0
 20 21  2  0  0  0
 20 49  1  0  0  0
 21 22  1  0  0  0
 21 50  1  0  0  0
 22 23  1  0  0  0
 22 51  1  0  0  0
 22 52  1  0  0  0
 23 24  1  0  0  0
 23 53  1  0  0  0
 23 54  1  0  0  0
 24 25  1  0  0  0
 24 55  1  0  0  0
 24 56  1  0  0  0
 25 27  1  0  0  0
 25 26  2  0  0  0
 27 57  1  0  0  0
 28 58  1  0  0  0
M  END

>  <Chemical Name>
16-phenoxy tetranor Prostaglandin F2alpha

>  <PubChem CID>
5311234

>  <Formula>
C22H30O6

>  <Molecular Weight>
390.476000

>  <IUPAC Name>
(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3R)-3-hydroxy-4-phenoxybut-1-enyl]cyclopentyl]hept-5-enoic acid

>  <XlogP>
2.100

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1C(C(C(C1O)C=CC(COC2=CC=CC=C2)O)CC=CCCCC(=O)O)O

>  <Isomeric SMILES>
C1[C@@H]([C@@H]([C@H]([C@@H]1O)/C=C/[C@H](COC2=CC=CC=C2)O)C/C=C\CCCC(=O)O)O

>  <InChI Std. ID>
InChI=1S/C22H30O6/c23-16(15-28-17-8-4-3-5-9-17)12-13-19-18(20(24)14-21(19)25)10-6-1-2-7-11-22(26)27/h1,3-6,8-9,12-13,16,18-21,23-25H,2,7,10-11,14-15H2,(H,26,27)/b6-1-,13-12+/t16-,18-,19-,20+,21-/m1/s1

>  <InChI Key>
FAPQZCFUFGJPFI-UEAHRUCRSA-N

