10836200
  -OEChem-04282423392D

 69 74  0     1  0  0  0  0  0999 V2000
    5.5954   -2.2515    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9300   -1.1704    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7968    1.4833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0027    3.1277    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6628   -0.0167    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.5288   -0.5167    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.9258   -0.6838    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.3948   -0.0167    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3309   -1.5916    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.3196   -1.4885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3948    0.9833    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.9434   -0.7905    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.7396   -1.7574    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.2888    1.5180    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.6628    0.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5288    1.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2888   -0.5514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7968    0.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1949    1.0041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1949   -0.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6359   -2.7520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2723   -0.0491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2637    2.6027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4189    2.0113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7227   -3.1596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1949    3.1596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1386    1.5394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132   -2.5725    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.0169   -1.5779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1386    2.6243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.9800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2158   -1.0172    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5777    0.0917    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3883   -0.8667    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6756   -2.3685    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3187   -2.1085    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9361   -1.5546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1342    0.5640    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3448   -0.9522    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9274    1.9582    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1303    1.9582    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8842   -1.0212    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6824   -1.0304    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1068    1.0202    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2598    0.7933    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4868   -0.0536    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4039   -0.6212    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8057    0.0686    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7864   -3.3535    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2544   -2.7083    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    0.3670    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8562    0.4106    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8126   -0.4651    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0412    3.1814    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6555    2.4825    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7248    2.5506    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8796    2.3171    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1131    1.4720    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2771   -3.5906    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0699   -3.6733    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5885    3.6386    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7903    3.6294    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6744    1.2273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4113   -2.2085    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8664   -0.9764    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3984   -1.6217    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7473   -2.4138    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4338   -3.2327    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2527   -3.5462    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
 13  1  1  1  0  0  0
  2 13  1  0  0  0  0
  2 29  1  0  0  0  0
  3 15  2  0  0  0  0
  4 30  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 15  1  0  0  0  0
  5 18  1  6  0  0  0
  6  8  1  0  0  0  0
  6 10  1  0  0  0  0
  6 32  1  1  0  0  0
  7  9  1  0  0  0  0
  7 12  1  0  0  0  0
  7 33  1  1  0  0  0
  8 11  1  0  0  0  0
  8 17  1  0  0  0  0
  8 34  1  6  0  0  0
  9 10  1  0  0  0  0
  9 35  1  1  0  0  0
 10 36  1  0  0  0  0
 10 37  1  0  0  0  0
 11 14  1  0  0  0  0
 11 16  1  0  0  0  0
 11 38  1  1  0  0  0
 12 13  1  0  0  0  0
 12 22  1  1  0  0  0
 12 39  1  0  0  0  0
 13 21  1  0  0  0  0
 14 19  1  0  0  0  0
 14 23  1  0  0  0  0
 14 24  1  6  0  0  0
 15 16  1  0  0  0  0
 16 40  1  0  0  0  0
 16 41  1  0  0  0  0
 17 20  1  0  0  0  0
 17 42  1  0  0  0  0
 17 43  1  0  0  0  0
 18 44  1  0  0  0  0
 18 45  1  0  0  0  0
 18 46  1  0  0  0  0
 19 20  1  0  0  0  0
 19 27  2  0  0  0  0
 20 47  1  0  0  0  0
 20 48  1  0  0  0  0
 21 25  1  0  0  0  0
 21 49  1  0  0  0  0
 21 50  1  0  0  0  0
 22 51  1  0  0  0  0
 22 52  1  0  0  0  0
 22 53  1  0  0  0  0
 23 26  1  0  0  0  0
 23 54  1  0  0  0  0
 23 55  1  0  0  0  0
 24 56  1  0  0  0  0
 24 57  1  0  0  0  0
 24 58  1  0  0  0  0
 25 28  1  0  0  0  0
 25 59  1  0  0  0  0
 25 60  1  0  0  0  0
 26 30  1  0  0  0  0
 26 61  1  0  0  0  0
 26 62  1  0  0  0  0
 27 30  1  0  0  0  0
 27 63  1  0  0  0  0
 28 29  1  0  0  0  0
 28 31  1  1  0  0  0
 28 64  1  0  0  0  0
 29 65  1  0  0  0  0
 29 66  1  0  0  0  0
 31 67  1  0  0  0  0
 31 68  1  0  0  0  0
 31 69  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
10836200

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
861

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB4OAAAAAAAAAAAAAAAAAAAAaIAAAA0YIEAAAASAGDAAAAAGgAAAAAADxSggAICCAAABACIAqBSAAAAAAAgAAAACAEAAEgQABIAAQAiAAAEgAAMAQPK7PzPgAAAAAAAAACAAAQAACAAAYAADAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(1R,2S,4S,5'R,6R,7S,8R,9S,12S,13R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-17-ene-6,2'-tetrahydropyran]-10,16-dione

> <PUBCHEM_IUPAC_CAS_NAME>
(1R,2S,4S,5'R,6R,7S,8R,9S,12S,13R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]eicos-17-ene-6,2'-oxane]-10,16-dione

> <PUBCHEM_IUPAC_NAME_MARKUP>
(1<I>R</I>,2<I>S</I>,4<I>S</I>,5&apos;<I>R</I>,6<I>R</I>,7<I>S</I>,8<I>R</I>,9<I>S</I>,12<I>S</I>,13<I>R</I>)-5&apos;,7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0<SUP>2,9</SUP>.0<SUP>4,8</SUP>.0<SUP>13,18</SUP>]icos-17-ene-6,2&apos;-oxane]-10,16-dione

> <PUBCHEM_IUPAC_NAME>
(1R,2S,4S,5'R,6R,7S,8R,9S,12S,13R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-17-ene-6,2'-oxane]-10,16-dione

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(1R,2S,4S,5'R,6R,7S,8R,9S,12S,13R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-17-ene-6,2'-oxane]-10,16-dione

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(1R,2S,4S,5'R,6R,7S,8R,9S,12S,13R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]eicos-17-ene-6,2'-tetrahydropyran]-10,16-quinone

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C27H38O4/c1-15-7-10-27(30-14-15)16(2)24-22(31-27)12-21-19-6-5-17-11-18(28)8-9-25(17,3)20(19)13-23(29)26(21,24)4/h11,15-16,19-22,24H,5-10,12-14H2,1-4H3/t15-,16+,19-,20+,21+,22+,24+,25+,26-,27-/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
ZVWYBBDTSJOAHD-HGMFYQPQSA-N

> <PUBCHEM_XLOGP3_AA>
4

> <PUBCHEM_EXACT_MASS>
426.27700969

> <PUBCHEM_MOLECULAR_FORMULA>
C27H38O4

> <PUBCHEM_MOLECULAR_WEIGHT>
426.6

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1CCC2(C(C3C(O2)CC4C3(C(=O)CC5C4CCC6=CC(=O)CCC56C)C)C)OC1

> <PUBCHEM_OPENEYE_ISO_SMILES>
C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(C(=O)C[C@H]5[C@H]4CCC6=CC(=O)CC[C@]56C)C)C)OC1

> <PUBCHEM_CACTVS_TPSA>
52.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
426.27700969

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
31

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
10

> <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>
13  1  5
11  38  5
12  22  5
14  24  6
28  31  5
5  18  6
6  32  5
7  33  5
8  34  6
9  35  5

$$$$
