170819
  -OEChem-05072415062D

 56 61  0     1  0  0  0  0  0999 V2000
    5.3843   -2.7373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6107    4.3167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7585   -3.8717    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7326   -0.2526    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8665    0.2474    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7165   -1.2941    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5986    0.2474    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8665    1.2474    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.6145   -1.8218    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0000    0.7474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5986    1.2474    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.3888   -2.8324    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7326    1.7474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5086   -0.2594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5166   -1.3010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9435   -1.9830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3582   -2.9318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5086    1.7543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5980   -2.0031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1717   -3.8085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4646    0.7474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7165    2.7889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5166    2.7959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0330   -4.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6145    3.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7824   -3.6546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9932   -0.6719    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4416   -0.4887    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9436   -0.9404    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3314    0.6781    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4416    1.9836    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6015    1.2224    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6015    0.2725    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1202   -0.3608    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7131    0.3259    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7302   -1.8831    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1266   -1.1902    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5819   -1.4793    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4046   -2.2896    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7671   -3.1190    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4822   -3.5393    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7131    1.1690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1202    1.8557    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4856   -2.6128    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2077   -2.1154    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7104   -1.3933    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5839   -3.6114    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9142   -4.3725    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1546    0.2105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0016    0.4374    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1760    3.0927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7302    3.3779    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6638   -4.8148    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4898   -4.7359    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 12  1  1  1  0  0  0
  1 26  1  0  0  0  0
  2 25  2  0  0  0  0
  3 26  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4 27  1  1  0  0  0
  5  8  1  0  0  0  0
  5 10  1  0  0  0  0
  5 28  1  1  0  0  0
  6  9  1  0  0  0  0
  6 16  1  0  0  0  0
  6 29  1  6  0  0  0
  7 11  1  0  0  0  0
  7 14  1  0  0  0  0
  7 30  1  6  0  0  0
  8 10  1  0  0  0  0
  8 13  1  0  0  0  0
  8 31  1  1  0  0  0
  9 12  1  0  0  0  0
  9 15  1  0  0  0  0
  9 19  1  1  0  0  0
 10 32  1  0  0  0  0
 10 33  1  0  0  0  0
 11 13  1  0  0  0  0
 11 18  1  0  0  0  0
 11 21  1  1  0  0  0
 12 17  1  0  0  0  0
 12 20  1  0  0  0  0
 13 22  2  0  0  0  0
 14 15  1  0  0  0  0
 14 34  1  0  0  0  0
 14 35  1  0  0  0  0
 15 36  1  0  0  0  0
 15 37  1  0  0  0  0
 16 17  1  0  0  0  0
 16 38  1  0  0  0  0
 16 39  1  0  0  0  0
 17 40  1  0  0  0  0
 17 41  1  0  0  0  0
 18 23  1  0  0  0  0
 18 42  1  0  0  0  0
 18 43  1  0  0  0  0
 19 44  1  0  0  0  0
 19 45  1  0  0  0  0
 19 46  1  0  0  0  0
 20 24  1  0  0  0  0
 20 47  1  0  0  0  0
 20 48  1  0  0  0  0
 21 49  1  0  0  0  0
 21 50  1  0  0  0  0
 21 51  1  0  0  0  0
 22 25  1  0  0  0  0
 22 52  1  0  0  0  0
 23 25  1  0  0  0  0
 23 53  1  0  0  0  0
 23 54  1  0  0  0  0
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 24 56  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
170819

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
753

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB4MAAAAAAAAAAAAAAAGAAAAaIAAAAwYIAABgAAAGDAAAAAGgAAAAAAD0SAgAACCAAABACIAqDSCAAAAAAgAAAACAEAAEgAABIAAQACAAAEgAAIAQOKyPCPgAAAAAAAAACAAAQAACAAAYAADAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(1R,2S,4S,10R,11S,14S,15R,18S)-10,14-dimethylspiro[pentacyclo[9.7.0.02,4.05,10.014,18]octadec-5-ene-15,5'-tetrahydrofuran]-2',7-dione

> <PUBCHEM_IUPAC_CAS_NAME>
(1'R,2'S,4'S,5R,10'R,11'S,14'S,18'S)-10',14'-dimethylspiro[oxolane-5,15'-pentacyclo[9.7.0.02,4.05,10.014,18]octadec-5-ene]-2,7'-dione

> <PUBCHEM_IUPAC_NAME_MARKUP>
(1&apos;<I>R</I>,2&apos;<I>S</I>,4&apos;<I>S</I>,5<I>R</I>,10&apos;<I>R</I>,11&apos;<I>S</I>,14&apos;<I>S</I>,18&apos;<I>S</I>)-10&apos;,14&apos;-dimethylspiro[oxolane-5,15&apos;-pentacyclo[9.7.0.0<SUP>2,4</SUP>.0<SUP>5,10</SUP>.0<SUP>14,18</SUP>]octadec-5-ene]-2,7&apos;-dione

> <PUBCHEM_IUPAC_NAME>
(1'R,2'S,4'S,5R,10'R,11'S,14'S,18'S)-10',14'-dimethylspiro[oxolane-5,15'-pentacyclo[9.7.0.02,4.05,10.014,18]octadec-5-ene]-2,7'-dione

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(1'R,2'S,4'S,5R,10'R,11'S,14'S,18'S)-10',14'-dimethylspiro[oxolane-5,15'-pentacyclo[9.7.0.02,4.05,10.014,18]octadec-5-ene]-2,7'-dione

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(1R,2S,4S,10R,11S,14S,15R,18S)-10,14-dimethylspiro[pentacyclo[9.7.0.02,4.05,10.014,18]octadec-5-ene-15,5'-tetrahydrofuran]-2',7-quinone

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C23H30O3/c1-21-7-3-13(24)11-18(21)14-12-15(14)20-16(21)4-8-22(2)17(20)5-9-23(22)10-6-19(25)26-23/h11,14-17,20H,3-10,12H2,1-2H3/t14-,15+,16-,17-,20+,21+,22-,23+/m0/s1

> <PUBCHEM_IUPAC_INCHIKEY>
RRHHMFQGHCFGMH-LAPLKBAYSA-N

> <PUBCHEM_XLOGP3>
2.8

> <PUBCHEM_EXACT_MASS>
354.21949481

> <PUBCHEM_MOLECULAR_FORMULA>
C23H30O3

> <PUBCHEM_MOLECULAR_WEIGHT>
354.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC12CCC(=O)C=C1C3CC3C4C2CCC5(C4CCC56CCC(=O)O6)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
C[C@]12CCC(=O)C=C1[C@H]3C[C@H]3[C@@H]4[C@@H]2CC[C@]5([C@H]4CC[C@@]56CCC(=O)O6)C

> <PUBCHEM_CACTVS_TPSA>
43.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
354.21949481

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
26

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
8

> <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>
12  1  5
11  21  5
4  27  5
5  28  5
6  29  6
7  30  6
8  31  5
9  19  5

$$$$