122199251
 OpenBabel05082101102D

 60 65  0  0  1  0  0  0  0  0999 V2000
    3.3022   -0.6276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3829    2.7418    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6764   -0.1140    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7931    1.3759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.8657    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1153   -4.3239    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1684   -0.1272    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0345    0.3728    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.1684    1.8728    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.0345    1.3728    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.3024    0.3728    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.1524   -1.1687    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.3024    1.3728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3776    2.8446    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.9445   -0.1340    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.7715    2.0399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3664    2.9477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0504   -1.6964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9525   -1.1756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1836    2.0464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2004   -1.6893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5872    3.8224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1524   -1.1610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8046    0.3759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1837   -2.7742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7221    4.3239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0588   -2.7814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9778    3.6561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1192   -3.3239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5366    0.3960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5690    0.6869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6012    1.1214    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4524    0.3729    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0904    1.9554    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6918    1.2651    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4844   -0.4389    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1369    1.5390    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3080    2.3507    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9560    3.1394    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2376    3.5542    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1660   -1.7577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5625   -1.0648    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2913    2.6570    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5730    2.1541    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0760    1.4359    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0004   -1.1025    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5880   -1.7860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1766    3.6298    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8404    4.3884    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1572   -0.5410    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5324   -1.1562    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1476   -1.7810    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5746   -2.6587    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9657   -3.3546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0874    4.8249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2621    4.7396    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5969   -3.0894    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0699    0.7122    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8528   -0.1373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2204    0.9293    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  2 28  1  0  0  0  0
  3 24  1  0  0  0  0
  3 30  1  0  0  0  0
  4 24  2  0  0  0  0
  5 28  2  0  0  0  0
  6 29  2  0  0  0  0
  7  1  1  6  0  0  0
  7  8  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 10  1  0  0  0  0
  8 15  1  0  0  0  0
  8 31  1  0  0  0  0
  9 10  1  0  0  0  0
  9 13  1  0  0  0  0
  9 14  1  0  0  0  0
  9 20  1  1  0  0  0
 10 16  1  0  0  0  0
 10 32  1  0  0  0  0
 11 13  1  0  0  0  0
 11 33  1  6  0  0  0
 12 18  1  0  0  0  0
 12 21  1  0  0  0  0
 12 23  1  1  0  0  0
 13 34  1  0  0  0  0
 13 35  1  0  0  0  0
 14  2  1  1  0  0  0
 14 17  1  0  0  0  0
 14 22  1  0  0  0  0
 15 19  1  0  0  0  0
 15 24  1  0  0  0  0
 15 36  1  0  0  0  0
 16 17  1  0  0  0  0
 16 37  1  0  0  0  0
 16 38  1  0  0  0  0
 17 39  1  0  0  0  0
 17 40  1  0  0  0  0
 18 19  1  0  0  0  0
 18 27  2  0  0  0  0
 19 41  1  0  0  0  0
 19 42  1  0  0  0  0
 20 43  1  0  0  0  0
 20 44  1  0  0  0  0
 20 45  1  0  0  0  0
 21 25  1  0  0  0  0
 21 46  1  0  0  0  0
 21 47  1  0  0  0  0
 22 26  1  0  0  0  0
 22 48  1  0  0  0  0
 22 49  1  0  0  0  0
 23 50  1  0  0  0  0
 23 51  1  0  0  0  0
 23 52  1  0  0  0  0
 25 29  1  0  0  0  0
 25 53  1  0  0  0  0
 25 54  1  0  0  0  0
 26 28  1  0  0  0  0
 26 55  1  0  0  0  0
 26 56  1  0  0  0  0
 27 29  1  0  0  0  0
 27 57  1  0  0  0  0
 30 58  1  0  0  0  0
 30 59  1  0  0  0  0
 30 60  1  0  0  0  0
M  ISO  3  58   2  59   2  60   2
M  END
>  <PUBCHEM_COMPOUND_CID>
122199251

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
907

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

>  <PUBCHEM_CACTVS_HBOND_DONOR>
0

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB4OAAAAAAAAAAAAAAAEgAAAaIAAAAwYIAABIAAAGDAAAAAGgAAAAAAD1SggAICCAAABACIAqDSCAAAAAAgAAAACAEAAEgAABIAAQACAAAEwAAIAQPK7PzPgAAAAAAAAADAAAYAADAAAYAADAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
trideuteriomethyl (1R,2S,9R,14R,15S,17S)-2,15-dimethyl-5,5'-dioxo-spiro[18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadec-6-ene-14,2'-tetrahydrofuran]-9-carboxylate

>  <PUBCHEM_IUPAC_CAS_NAME>
(1R,2S,9R,14R,15S,17S)-2,15-dimethyl-5,5'-dioxo-9-spiro[18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadec-6-ene-14,2'-oxolane]carboxylic acid trideuteriomethyl ester

>  <PUBCHEM_IUPAC_NAME_MARKUP>
trideuteriomethyl (1<I>R</I>,2<I>S</I>,9<I>R</I>,14<I>R</I>,15<I>S</I>,17<I>S</I>)-2,15-dimethyl-5,5&apos;-dioxospiro[18-oxapentacyclo[8.8.0.0<SUP>1,17</SUP>.0<SUP>2,7</SUP>.0<SUP>11,15</SUP>]octadec-6-ene-14,2&apos;-oxolane]-9-carboxylate

>  <PUBCHEM_IUPAC_NAME>
trideuteriomethyl (1R,2S,9R,14R,15S,17S)-2,15-dimethyl-5,5'-dioxospiro[18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadec-6-ene-14,2'-oxolane]-9-carboxylate

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
trideuteriomethyl (1R,2S,9R,14R,15S,17S)-2,15-dimethyl-5,5'-bis(oxidanylidene)spiro[18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadec-6-ene-14,2'-oxolane]-9-carboxylate

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(1R,2S,9R,14R,15S,17S)-5,5'-diketo-2,15-dimethyl-spiro[18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadec-6-ene-14,2'-tetrahydrofuran]-9-carboxylic acid trideuteriomethyl ester

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C24H30O6/c1-21-7-4-14(25)10-13(21)11-15(20(27)28-3)19-16-5-8-23(9-6-18(26)30-23)22(16,2)12-17-24(19,21)29-17/h10,15-17,19H,4-9,11-12H2,1-3H3/t15-,16?,17+,19?,21+,22+,23-,24-/m1/s1/i3D3

>  <PUBCHEM_IUPAC_INCHIKEY>
JUKPWJGBANNWMW-NJQGUURESA-N

>  <PUBCHEM_XLOGP3>
1.4

>  <PUBCHEM_EXACT_MASS>
417.223069

>  <PUBCHEM_MOLECULAR_FORMULA>
C24H30O6

>  <PUBCHEM_MOLECULAR_WEIGHT>
417.5

>  <PUBCHEM_OPENEYE_CAN_SMILES>
CC12CCC(=O)C=C1CC(C3C24C(O4)CC5(C3CCC56CCC(=O)O6)C)C(=O)OC

>  <PUBCHEM_OPENEYE_ISO_SMILES>
[2H]C([2H])([2H])OC(=O)[C@@H]1CC2=CC(=O)CC[C@@]2([C@]34C1C5CC[C@]6([C@]5(C[C@@H]3O4)C)CCC(=O)O6)C

>  <PUBCHEM_CACTVS_TPSA>
82.2

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
417.223069

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
30

>  <PUBCHEM_ATOM_DEF_STEREO_COUNT>
6

>  <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
2

>  <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

>  <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

>  <PUBCHEM_ISOTOPIC_ATOM_COUNT>
3

>  <PUBCHEM_COMPONENT_COUNT>
1

>  <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

>  <PUBCHEM_COORDINATE_TYPE>
1
5
255

>  <PUBCHEM_BONDANNOTATIONS>
7  1  6
10  16  3
11  33  6
12  23  5
14  2  5
8  15  3
9  20  5

$$$$
