15209
 OpenBabel05082101102D

 64 68  0  0  1  0  0  0  0  0999 V2000
    2.9438   -0.8087    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.0594   -1.0583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4073   -2.5194    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4739    2.2154    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7828    0.6301    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6092   -0.1850    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.8598    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3399   -0.2845    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.4739   -0.7845    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.6079   -0.2845    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.0770   -0.9516    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.6079    0.7155    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.6831   -1.7564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6718   -1.8594    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3399    0.7155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4739    1.2154    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.7140    1.2501    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.7140   -0.8192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2060    0.2155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8079    0.7363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8079   -0.3054    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.8865   -0.3645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2632   -2.0253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7390    2.3348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5838    1.7434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8079    2.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641    1.2715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7997   -0.7721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7624   -2.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2415   -1.8182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641    2.3565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7869   -1.2851    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6144   -1.1345    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3440    0.2905    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0666   -1.8224    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6840   -2.3764    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3271   -2.6364    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9505    0.6078    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5520    1.2981    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0108    1.5254    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3203   -1.2982    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1185   -1.2890    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5160   -0.3215    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7429    0.5255    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8960    0.7524    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2704    0.0036    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3473    2.2146    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9615    2.9135    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8896    1.2041    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1231    2.0493    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2780    2.2827    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0108    2.5255    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2125    3.3615    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4142    3.3708    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3284    0.9594    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4525   -1.2858    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2453   -1.2032    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2252   -3.2013    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0719   -3.4289    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2996   -2.5822    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3699   -2.4248    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8480   -1.6898    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1131   -1.2116    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1754   -0.4377    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2 11  1  0  0  0  0
  2 23  1  0  0  0  0
  3 14  1  0  0  0  0
  3 23  1  0  0  0  0
  4 52  1  0  0  0  0
  5 22  2  0  0  0  0
  6 28  1  0  0  0  0
  6 64  1  0  0  0  0
  7 31  2  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  8 15  1  0  0  0  0
  8 19  1  1  0  0  0
  9 10  1  0  0  0  0
  9 13  1  0  0  0  0
  9 32  1  6  0  0  0
 10 12  1  0  0  0  0
 10 18  1  0  0  0  0
 10 33  1  1  0  0  0
 11 14  1  0  0  0  0
 11 22  1  1  0  0  0
 12 16  1  0  0  0  0
 12 17  1  0  0  0  0
 12 34  1  6  0  0  0
 13 14  1  0  0  0  0
 13 35  1  0  0  0  0
 13 36  1  0  0  0  0
 14 37  1  1  0  0  0
 15 16  1  0  0  0  0
 15 38  1  0  0  0  0
 15 39  1  0  0  0  0
 16  4  1  0  0  0  0
 16 40  1  6  0  0  0
 17 20  1  0  0  0  0
 17 24  1  0  0  0  0
 17 25  1  1  0  0  0
 18 21  1  0  0  0  0
 18 41  1  0  0  0  0
 18 42  1  0  0  0  0
 19 43  1  0  0  0  0
 19 44  1  0  0  0  0
 19 45  1  0  0  0  0
 20 21  1  0  0  0  0
 20 27  2  0  0  0  0
 21  1  1  0  0  0  0
 21 46  1  1  0  0  0
 22 28  1  0  0  0  0
 23 29  1  0  0  0  0
 23 30  1  0  0  0  0
 24 26  1  0  0  0  0
 24 47  1  0  0  0  0
 24 48  1  0  0  0  0
 25 49  1  0  0  0  0
 25 50  1  0  0  0  0
 25 51  1  0  0  0  0
 26 31  1  0  0  0  0
 26 53  1  0  0  0  0
 26 54  1  0  0  0  0
 27 31  1  0  0  0  0
 27 55  1  0  0  0  0
 28 56  1  0  0  0  0
 28 57  1  0  0  0  0
 29 58  1  0  0  0  0
 29 59  1  0  0  0  0
 29 60  1  0  0  0  0
 30 61  1  0  0  0  0
 30 62  1  0  0  0  0
 30 63  1  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
15209

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
868

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

>  <PUBCHEM_CACTVS_HBOND_DONOR>
2

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB4OQAAAAAAAAAAAAAAAAAAAaIAAAAwYIAAAAASAGDAAAAAGwAACAAAD1SggAICCAAABgCIAqBSAAIAAAAgAAAACAFAAEgREBYAAQQiQAAFoAAOAQPI7PzPgAAAAAAAAADAAAYAADAAAYAADCAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
(1S,2S,4R,8S,9S,11S,12S,13R,19S)-19-fluoro-11-hydroxy-8-(2-hydroxyacetyl)-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icos-17-en-16-one

>  <PUBCHEM_IUPAC_CAS_NAME>
(1S,2S,4R,8S,9S,11S,12S,13R,19S)-19-fluoro-11-hydroxy-8-(2-hydroxy-1-oxoethyl)-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]eicos-17-en-16-one

>  <PUBCHEM_IUPAC_NAME_MARKUP>
(1<I>S</I>,2<I>S</I>,4<I>R</I>,8<I>S</I>,9<I>S</I>,11<I>S</I>,12<I>S</I>,13<I>R</I>,19<I>S</I>)-19-fluoro-11-hydroxy-8-(2-hydroxyacetyl)-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.0<SUP>2,9</SUP>.0<SUP>4,8</SUP>.0<SUP>13,18</SUP>]icos-17-en-16-one

>  <PUBCHEM_IUPAC_NAME>
(1S,2S,4R,8S,9S,11S,12S,13R,19S)-19-fluoro-11-hydroxy-8-(2-hydroxyacetyl)-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icos-17-en-16-one

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(1S,2S,4R,8S,9S,11S,12S,13R,19S)-19-fluoranyl-6,6,9,13-tetramethyl-11-oxidanyl-8-(2-oxidanylethanoyl)-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icos-17-en-16-one

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(1S,2S,4R,8S,9S,11S,12S,13R,19S)-19-fluoro-8-glycoloyl-11-hydroxy-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]eicos-17-en-16-one

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C24H33FO6/c1-21(2)30-19-9-14-13-8-16(25)15-7-12(27)5-6-22(15,3)20(13)17(28)10-23(14,4)24(19,31-21)18(29)11-26/h7,13-14,16-17,19-20,26,28H,5-6,8-11H2,1-4H3/t13-,14-,16-,17-,19+,20+,22-,23-,24+/m0/s1

>  <PUBCHEM_IUPAC_INCHIKEY>
POPFMWWJOGLOIF-XWCQMRHXSA-N

>  <PUBCHEM_XLOGP3_AA>
1.4

>  <PUBCHEM_EXACT_MASS>
436.226117

>  <PUBCHEM_MOLECULAR_FORMULA>
C24H33FO6

>  <PUBCHEM_MOLECULAR_WEIGHT>
436.5

>  <PUBCHEM_OPENEYE_CAN_SMILES>
CC1(OC2CC3C4CC(C5=CC(=O)CCC5(C4C(CC3(C2(O1)C(=O)CO)C)O)C)F)C

>  <PUBCHEM_OPENEYE_ISO_SMILES>
C[C@]12CCC(=O)C=C1[C@H](C[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3C[C@@H]5[C@]4(OC(O5)(C)C)C(=O)CO)C)O)F

>  <PUBCHEM_CACTVS_TPSA>
93.1

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
436.226117

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
31

>  <PUBCHEM_ATOM_DEF_STEREO_COUNT>
9

>  <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

>  <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

>  <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

>  <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

>  <PUBCHEM_COMPONENT_COUNT>
1

>  <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

>  <PUBCHEM_COORDINATE_TYPE>
1
5
255

>  <PUBCHEM_BONDANNOTATIONS>
21  1  6
10  33  5
11  22  5
12  34  6
14  37  5
17  25  5
16  4  5
8  19  5
9  32  6

$$$$
